USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -0.506 K(o=-0.96,f=-3.2!) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.456 K(o=-0.96,f=-3.5!) USER MOD Set 3.1: A 8 MET CE :methyl -175:sc= 0 (180deg=-0.0121) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -108:sc= 0.114 (180deg=0) USER MOD Single : A 1 SER OG : rot -128:sc= 1.29 USER MOD Single : A 2 ASN : amide:sc= 0.367 K(o=0.37,f=-4.1!) USER MOD Single : A 5 MET CE :methyl -131:sc= 0 (180deg=-0.767) USER MOD Single : A 11 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0141 K(o=-0.014,f=-1.8!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.309 K(o=0.31,f=-0.25) USER MOD Single : A 35 MET CE :methyl 179:sc= -1.86! (180deg=-1.94!) USER MOD Single : A 37 ASN : amide:sc= -0.897 K(o=-0.9,f=-9.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -12:sc= 0.999 USER MOD Single : A 52 SER OG : rot -160:sc= -0.158 USER MOD Single : A 53 HIS : no HD1:sc=-0.00773 X(o=-0.0077,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.955 K(o=-0.95,f=-0.025) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.092 USER MOD Single : A 61 MET CE :methyl -158:sc= -0.188 (180deg=-0.795) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.0009) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.06) USER MOD Single : A 73 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -169:sc= 0 (180deg=-0.0863) USER MOD Single : A 78 HIS : no HE2:sc= -0.381 K(o=-0.38,f=-1.4) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 80 SER OG : rot 163:sc= 0.0361 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= -0.072 (180deg=-0.596) USER MOD Single : A 87 ASN : amide:sc= -0.666 K(o=-0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.363 8.102 -3.379 1.00 13.51 N ATOM 2 CA SER A 1 -7.174 6.769 -2.803 1.00 22.23 C ATOM 3 C SER A 1 -6.560 6.911 -1.426 1.00 40.32 C ATOM 4 O SER A 1 -6.035 7.955 -1.045 1.00 13.54 O ATOM 5 CB SER A 1 -6.325 5.841 -3.687 1.00 20.31 C ATOM 6 OG SER A 1 -6.237 4.507 -3.202 1.00 14.34 O ATOM 0 H1 SER A 1 -8.377 8.335 -3.390 1.00 13.51 H new ATOM 0 H2 SER A 1 -6.853 8.804 -2.805 1.00 13.51 H new ATOM 0 H3 SER A 1 -6.994 8.116 -4.351 1.00 13.51 H new ATOM 0 HA SER A 1 -8.153 6.296 -2.733 1.00 22.23 H new ATOM 0 HB2 SER A 1 -6.748 5.825 -4.692 1.00 20.31 H new ATOM 0 HB3 SER A 1 -5.320 6.254 -3.771 1.00 20.31 H new ATOM 0 HG SER A 1 -5.296 4.239 -3.152 1.00 14.34 H new ATOM 11 N ASN A 2 -6.628 5.804 -0.714 1.00 32.15 N ATOM 12 CA ASN A 2 -6.119 5.516 0.609 1.00 74.33 C ATOM 13 C ASN A 2 -5.480 4.118 0.582 1.00 32.12 C ATOM 14 O ASN A 2 -4.965 3.662 1.593 1.00 35.22 O ATOM 15 CB ASN A 2 -7.320 5.641 1.550 1.00 74.13 C ATOM 16 CG ASN A 2 -7.064 5.172 2.957 1.00 15.31 C ATOM 17 OD1 ASN A 2 -6.574 5.916 3.789 1.00 32.25 O ATOM 18 ND2 ASN A 2 -7.480 3.963 3.268 1.00 0.55 N ATOM 0 H ASN A 2 -7.100 4.986 -1.099 1.00 32.15 H new ATOM 0 HA ASN A 2 -5.339 6.196 0.952 1.00 74.33 H new ATOM 0 HB2 ASN A 2 -7.634 6.684 1.580 1.00 74.13 H new ATOM 0 HB3 ASN A 2 -8.151 5.070 1.136 1.00 74.13 H new ATOM 0 HD21 ASN A 2 -7.397 3.626 4.227 1.00 0.55 H new ATOM 0 HD22 ASN A 2 -7.886 3.363 2.550 1.00 0.55 H new ATOM 24 N ILE A 3 -5.475 3.446 -0.579 1.00 22.32 N ATOM 25 CA ILE A 3 -4.810 2.174 -0.816 1.00 4.53 C ATOM 26 C ILE A 3 -3.630 2.453 -1.724 1.00 53.34 C ATOM 27 O ILE A 3 -3.781 3.150 -2.738 1.00 4.13 O ATOM 28 CB ILE A 3 -5.732 1.099 -1.439 1.00 51.34 C ATOM 29 CG1 ILE A 3 -7.112 1.168 -0.763 1.00 32.12 C ATOM 30 CG2 ILE A 3 -5.085 -0.290 -1.281 1.00 3.51 C ATOM 31 CD1 ILE A 3 -8.062 0.009 -1.055 1.00 44.22 C ATOM 0 H ILE A 3 -5.957 3.796 -1.407 1.00 22.32 H new ATOM 0 HA ILE A 3 -4.497 1.759 0.142 1.00 4.53 H new ATOM 0 HB ILE A 3 -5.866 1.282 -2.505 1.00 51.34 H new ATOM 0 HG12 ILE A 3 -6.963 1.226 0.315 1.00 32.12 H new ATOM 0 HG13 ILE A 3 -7.598 2.095 -1.068 1.00 32.12 H new ATOM 0 HG21 ILE A 3 -5.735 -1.046 -1.720 1.00 3.51 H new ATOM 0 HG22 ILE A 3 -4.120 -0.302 -1.788 1.00 3.51 H new ATOM 0 HG23 ILE A 3 -4.941 -0.506 -0.222 1.00 3.51 H new ATOM 0 HD11 ILE A 3 -9.002 0.166 -0.525 1.00 44.22 H new ATOM 0 HD12 ILE A 3 -8.254 -0.043 -2.127 1.00 44.22 H new ATOM 0 HD13 ILE A 3 -7.610 -0.925 -0.722 1.00 44.22 H new ATOM 42 N VAL A 4 -2.493 1.871 -1.369 1.00 54.22 N ATOM 43 CA VAL A 4 -1.275 1.859 -2.149 1.00 32.40 C ATOM 44 C VAL A 4 -0.862 0.389 -2.226 1.00 23.44 C ATOM 45 O VAL A 4 -0.432 -0.203 -1.231 1.00 35.11 O ATOM 46 CB VAL A 4 -0.254 2.827 -1.534 1.00 61.45 C ATOM 47 CG1 VAL A 4 0.991 2.826 -2.415 1.00 61.23 C ATOM 48 CG2 VAL A 4 -0.792 4.268 -1.472 1.00 42.42 C ATOM 0 H VAL A 4 -2.396 1.371 -0.485 1.00 54.22 H new ATOM 0 HA VAL A 4 -1.382 2.229 -3.169 1.00 32.40 H new ATOM 0 HB VAL A 4 -0.039 2.497 -0.518 1.00 61.45 H new ATOM 0 HG11 VAL A 4 1.732 3.508 -1.998 1.00 61.23 H new ATOM 0 HG12 VAL A 4 1.406 1.819 -2.457 1.00 61.23 H new ATOM 0 HG13 VAL A 4 0.725 3.151 -3.421 1.00 61.23 H new ATOM 0 HG21 VAL A 4 -0.038 4.919 -1.030 1.00 42.42 H new ATOM 0 HG22 VAL A 4 -1.025 4.613 -2.479 1.00 42.42 H new ATOM 0 HG23 VAL A 4 -1.695 4.293 -0.862 1.00 42.42 H new ATOM 58 N MET A 5 -1.103 -0.228 -3.386 1.00 2.31 N ATOM 59 CA MET A 5 -0.690 -1.594 -3.668 1.00 14.20 C ATOM 60 C MET A 5 0.771 -1.530 -4.091 1.00 63.23 C ATOM 61 O MET A 5 1.104 -0.802 -5.031 1.00 0.31 O ATOM 62 CB MET A 5 -1.584 -2.206 -4.755 1.00 1.33 C ATOM 63 CG MET A 5 -1.377 -3.715 -4.918 1.00 55.51 C ATOM 64 SD MET A 5 -2.328 -4.498 -6.254 1.00 51.22 S ATOM 65 CE MET A 5 -1.433 -3.925 -7.712 1.00 2.52 C ATOM 0 H MET A 5 -1.596 0.217 -4.160 1.00 2.31 H new ATOM 0 HA MET A 5 -0.793 -2.237 -2.794 1.00 14.20 H new ATOM 0 HB2 MET A 5 -2.628 -2.012 -4.511 1.00 1.33 H new ATOM 0 HB3 MET A 5 -1.382 -1.712 -5.705 1.00 1.33 H new ATOM 0 HG2 MET A 5 -0.317 -3.901 -5.093 1.00 55.51 H new ATOM 0 HG3 MET A 5 -1.636 -4.203 -3.978 1.00 55.51 H new ATOM 0 HE1 MET A 5 -2.140 -3.526 -8.439 1.00 2.52 H new ATOM 0 HE2 MET A 5 -0.729 -3.144 -7.423 1.00 2.52 H new ATOM 0 HE3 MET A 5 -0.888 -4.758 -8.155 1.00 2.52 H new ATOM 73 N LEU A 6 1.637 -2.246 -3.377 1.00 61.14 N ATOM 74 CA LEU A 6 3.063 -2.323 -3.662 1.00 2.54 C ATOM 75 C LEU A 6 3.282 -3.509 -4.579 1.00 35.43 C ATOM 76 O LEU A 6 3.017 -4.629 -4.156 1.00 22.34 O ATOM 77 CB LEU A 6 3.865 -2.539 -2.366 1.00 51.12 C ATOM 78 CG LEU A 6 3.843 -1.382 -1.355 1.00 33.24 C ATOM 79 CD1 LEU A 6 4.882 -1.677 -0.266 1.00 4.42 C ATOM 80 CD2 LEU A 6 4.094 -0.031 -2.020 1.00 60.43 C ATOM 0 H LEU A 6 1.358 -2.800 -2.567 1.00 61.14 H new ATOM 0 HA LEU A 6 3.398 -1.394 -4.124 1.00 2.54 H new ATOM 0 HB2 LEU A 6 3.484 -3.433 -1.872 1.00 51.12 H new ATOM 0 HB3 LEU A 6 4.902 -2.740 -2.634 1.00 51.12 H new ATOM 0 HG LEU A 6 2.850 -1.312 -0.910 1.00 33.24 H new ATOM 0 HD11 LEU A 6 4.884 -0.867 0.464 1.00 4.42 H new ATOM 0 HD12 LEU A 6 4.631 -2.614 0.232 1.00 4.42 H new ATOM 0 HD13 LEU A 6 5.870 -1.760 -0.719 1.00 4.42 H new ATOM 0 HD21 LEU A 6 4.069 0.756 -1.266 1.00 60.43 H new ATOM 0 HD22 LEU A 6 5.071 -0.039 -2.504 1.00 60.43 H new ATOM 0 HD23 LEU A 6 3.322 0.157 -2.766 1.00 60.43 H new ATOM 91 N ARG A 7 3.724 -3.308 -5.820 1.00 44.21 N ATOM 92 CA ARG A 7 4.099 -4.398 -6.724 1.00 52.31 C ATOM 93 C ARG A 7 5.605 -4.578 -6.711 1.00 54.22 C ATOM 94 O ARG A 7 6.342 -3.618 -6.494 1.00 33.04 O ATOM 95 CB ARG A 7 3.643 -4.101 -8.162 1.00 22.21 C ATOM 96 CG ARG A 7 2.122 -4.182 -8.313 1.00 24.34 C ATOM 97 CD ARG A 7 1.673 -3.944 -9.759 1.00 60.13 C ATOM 98 NE ARG A 7 1.898 -5.112 -10.628 1.00 75.42 N ATOM 99 CZ ARG A 7 1.453 -5.231 -11.886 1.00 35.00 C ATOM 100 NH1 ARG A 7 0.760 -4.255 -12.463 1.00 0.53 N ATOM 101 NH2 ARG A 7 1.701 -6.333 -12.582 1.00 60.33 N ATOM 0 H ARG A 7 3.833 -2.380 -6.230 1.00 44.21 H new ATOM 0 HA ARG A 7 3.609 -5.309 -6.380 1.00 52.31 H new ATOM 0 HB2 ARG A 7 3.983 -3.107 -8.451 1.00 22.21 H new ATOM 0 HB3 ARG A 7 4.113 -4.810 -8.844 1.00 22.21 H new ATOM 0 HG2 ARG A 7 1.777 -5.162 -7.983 1.00 24.34 H new ATOM 0 HG3 ARG A 7 1.654 -3.444 -7.662 1.00 24.34 H new ATOM 0 HD2 ARG A 7 0.613 -3.689 -9.768 1.00 60.13 H new ATOM 0 HD3 ARG A 7 2.210 -3.087 -10.165 1.00 60.13 H new ATOM 0 HE ARG A 7 2.434 -5.890 -10.242 1.00 75.42 H new ATOM 0 HH11 ARG A 7 0.559 -3.398 -11.947 1.00 0.53 H new ATOM 0 HH12 ARG A 7 0.429 -4.363 -13.422 1.00 0.53 H new ATOM 0 HH21 ARG A 7 2.233 -7.094 -12.160 1.00 60.33 H new ATOM 0 HH22 ARG A 7 1.360 -6.419 -13.539 1.00 60.33 H new ATOM 112 N MET A 8 6.043 -5.781 -7.090 1.00 42.41 N ATOM 113 CA MET A 8 7.448 -6.177 -7.196 1.00 21.41 C ATOM 114 C MET A 8 8.055 -6.358 -5.800 1.00 33.34 C ATOM 115 O MET A 8 9.256 -6.174 -5.610 1.00 23.01 O ATOM 116 CB MET A 8 8.266 -5.235 -8.114 1.00 41.11 C ATOM 117 CG MET A 8 7.522 -4.899 -9.416 1.00 2.32 C ATOM 118 SD MET A 8 8.459 -4.101 -10.750 1.00 74.42 S ATOM 119 CE MET A 8 9.224 -2.716 -9.864 1.00 55.51 C ATOM 0 H MET A 8 5.403 -6.535 -7.341 1.00 42.41 H new ATOM 0 HA MET A 8 7.494 -7.146 -7.693 1.00 21.41 H new ATOM 0 HB2 MET A 8 8.490 -4.313 -7.578 1.00 41.11 H new ATOM 0 HB3 MET A 8 9.220 -5.704 -8.354 1.00 41.11 H new ATOM 0 HG2 MET A 8 7.103 -5.825 -9.810 1.00 2.32 H new ATOM 0 HG3 MET A 8 6.683 -4.251 -9.163 1.00 2.32 H new ATOM 0 HE1 MET A 8 9.760 -2.083 -10.571 1.00 55.51 H new ATOM 0 HE2 MET A 8 8.451 -2.131 -9.367 1.00 55.51 H new ATOM 0 HE3 MET A 8 9.922 -3.101 -9.121 1.00 55.51 H new ATOM 127 N LEU A 9 7.235 -6.714 -4.802 1.00 54.31 N ATOM 128 CA LEU A 9 7.759 -7.121 -3.506 1.00 24.32 C ATOM 129 C LEU A 9 8.421 -8.489 -3.677 1.00 73.03 C ATOM 130 O LEU A 9 7.868 -9.323 -4.399 1.00 35.40 O ATOM 131 CB LEU A 9 6.617 -7.246 -2.483 1.00 54.12 C ATOM 132 CG LEU A 9 6.193 -5.904 -1.865 1.00 14.32 C ATOM 133 CD1 LEU A 9 4.886 -6.103 -1.097 1.00 3.34 C ATOM 134 CD2 LEU A 9 7.245 -5.349 -0.899 1.00 24.04 C ATOM 0 H LEU A 9 6.218 -6.726 -4.872 1.00 54.31 H new ATOM 0 HA LEU A 9 8.472 -6.379 -3.147 1.00 24.32 H new ATOM 0 HB2 LEU A 9 5.754 -7.701 -2.969 1.00 54.12 H new ATOM 0 HB3 LEU A 9 6.927 -7.921 -1.686 1.00 54.12 H new ATOM 0 HG LEU A 9 6.073 -5.190 -2.679 1.00 14.32 H new ATOM 0 HD11 LEU A 9 4.576 -5.156 -0.654 1.00 3.34 H new ATOM 0 HD12 LEU A 9 4.113 -6.454 -1.780 1.00 3.34 H new ATOM 0 HD13 LEU A 9 5.036 -6.840 -0.308 1.00 3.34 H new ATOM 0 HD21 LEU A 9 6.898 -4.400 -0.489 1.00 24.04 H new ATOM 0 HD22 LEU A 9 7.404 -6.059 -0.087 1.00 24.04 H new ATOM 0 HD23 LEU A 9 8.183 -5.193 -1.433 1.00 24.04 H new ATOM 145 N PRO A 10 9.526 -8.758 -2.963 1.00 43.54 N ATOM 146 CA PRO A 10 10.188 -10.049 -2.999 1.00 24.10 C ATOM 147 C PRO A 10 9.350 -11.106 -2.287 1.00 3.13 C ATOM 148 O PRO A 10 8.406 -10.804 -1.553 1.00 43.25 O ATOM 149 CB PRO A 10 11.527 -9.838 -2.287 1.00 55.44 C ATOM 150 CG PRO A 10 11.224 -8.713 -1.303 1.00 53.15 C ATOM 151 CD PRO A 10 10.219 -7.852 -2.061 1.00 11.43 C ATOM 0 HA PRO A 10 10.328 -10.406 -4.019 1.00 24.10 H new ATOM 0 HB2 PRO A 10 11.858 -10.742 -1.776 1.00 55.44 H new ATOM 0 HB3 PRO A 10 12.316 -9.560 -2.986 1.00 55.44 H new ATOM 0 HG2 PRO A 10 10.806 -9.094 -0.371 1.00 53.15 H new ATOM 0 HG3 PRO A 10 12.122 -8.151 -1.044 1.00 53.15 H new ATOM 0 HD2 PRO A 10 9.521 -7.371 -1.376 1.00 11.43 H new ATOM 0 HD3 PRO A 10 10.722 -7.058 -2.613 1.00 11.43 H new ATOM 156 N GLN A 11 9.769 -12.362 -2.426 1.00 71.14 N ATOM 157 CA GLN A 11 9.157 -13.459 -1.683 1.00 24.40 C ATOM 158 C GLN A 11 9.474 -13.339 -0.192 1.00 71.34 C ATOM 159 O GLN A 11 8.654 -13.707 0.644 1.00 4.44 O ATOM 160 CB GLN A 11 9.696 -14.795 -2.211 1.00 20.41 C ATOM 161 CG GLN A 11 8.841 -15.997 -1.824 1.00 61.24 C ATOM 162 CD GLN A 11 7.447 -15.949 -2.443 1.00 64.45 C ATOM 163 OE1 GLN A 11 7.277 -15.991 -3.658 1.00 72.25 O ATOM 164 NE2 GLN A 11 6.419 -15.921 -1.623 1.00 3.33 N ATOM 0 H GLN A 11 10.529 -12.644 -3.045 1.00 71.14 H new ATOM 0 HA GLN A 11 8.076 -13.414 -1.818 1.00 24.40 H new ATOM 0 HB2 GLN A 11 9.766 -14.745 -3.298 1.00 20.41 H new ATOM 0 HB3 GLN A 11 10.708 -14.943 -1.833 1.00 20.41 H new ATOM 0 HG2 GLN A 11 9.343 -16.912 -2.139 1.00 61.24 H new ATOM 0 HG3 GLN A 11 8.751 -16.040 -0.739 1.00 61.24 H new ATOM 0 HE21 GLN A 11 6.571 -15.886 -0.615 1.00 3.33 H new ATOM 0 HE22 GLN A 11 5.469 -15.934 -1.995 1.00 3.33 H new ATOM 171 N ALA A 12 10.687 -12.873 0.117 1.00 21.00 N ATOM 172 CA ALA A 12 11.244 -12.920 1.453 1.00 32.23 C ATOM 173 C ALA A 12 10.629 -11.891 2.401 1.00 41.31 C ATOM 174 O ALA A 12 10.666 -12.124 3.609 1.00 31.40 O ATOM 175 CB ALA A 12 12.759 -12.744 1.353 1.00 40.12 C ATOM 0 H ALA A 12 11.311 -12.449 -0.570 1.00 21.00 H new ATOM 0 HA ALA A 12 11.003 -13.890 1.887 1.00 32.23 H new ATOM 0 HB1 ALA A 12 13.196 -12.777 2.351 1.00 40.12 H new ATOM 0 HB2 ALA A 12 13.179 -13.546 0.746 1.00 40.12 H new ATOM 0 HB3 ALA A 12 12.984 -11.783 0.890 1.00 40.12 H new ATOM 181 N ALA A 13 10.071 -10.787 1.887 1.00 20.34 N ATOM 182 CA ALA A 13 9.536 -9.732 2.741 1.00 2.54 C ATOM 183 C ALA A 13 8.383 -10.240 3.613 1.00 22.21 C ATOM 184 O ALA A 13 7.697 -11.221 3.285 1.00 73.31 O ATOM 185 CB ALA A 13 9.082 -8.535 1.895 1.00 20.03 C ATOM 0 H ALA A 13 9.981 -10.607 0.887 1.00 20.34 H new ATOM 0 HA ALA A 13 10.336 -9.410 3.407 1.00 2.54 H new ATOM 0 HB1 ALA A 13 8.686 -7.757 2.548 1.00 20.03 H new ATOM 0 HB2 ALA A 13 9.931 -8.142 1.336 1.00 20.03 H new ATOM 0 HB3 ALA A 13 8.306 -8.855 1.199 1.00 20.03 H new ATOM 191 N THR A 14 8.131 -9.508 4.692 1.00 75.11 N ATOM 192 CA THR A 14 7.127 -9.803 5.697 1.00 21.44 C ATOM 193 C THR A 14 6.288 -8.552 5.905 1.00 34.12 C ATOM 194 O THR A 14 6.717 -7.450 5.559 1.00 23.20 O ATOM 195 CB THR A 14 7.822 -10.310 6.982 1.00 53.52 C ATOM 196 OG1 THR A 14 9.170 -9.877 7.073 1.00 12.41 O ATOM 197 CG2 THR A 14 7.881 -11.835 6.916 1.00 20.02 C ATOM 0 H THR A 14 8.648 -8.653 4.896 1.00 75.11 H new ATOM 0 HA THR A 14 6.454 -10.600 5.383 1.00 21.44 H new ATOM 0 HB THR A 14 7.256 -9.927 7.831 1.00 53.52 H new ATOM 0 HG1 THR A 14 9.568 -10.219 7.900 1.00 12.41 H new ATOM 0 HG21 THR A 14 8.368 -12.219 7.812 1.00 20.02 H new ATOM 0 HG22 THR A 14 6.869 -12.236 6.852 1.00 20.02 H new ATOM 0 HG23 THR A 14 8.448 -12.139 6.036 1.00 20.02 H new ATOM 205 N GLU A 15 5.058 -8.705 6.410 1.00 3.40 N ATOM 206 CA GLU A 15 4.182 -7.563 6.623 1.00 62.23 C ATOM 207 C GLU A 15 4.843 -6.557 7.558 1.00 4.53 C ATOM 208 O GLU A 15 4.705 -5.353 7.383 1.00 61.04 O ATOM 209 CB GLU A 15 2.870 -8.062 7.217 1.00 13.23 C ATOM 210 CG GLU A 15 1.730 -7.083 6.957 1.00 24.41 C ATOM 211 CD GLU A 15 0.570 -7.320 7.917 1.00 15.30 C ATOM 212 OE1 GLU A 15 0.637 -6.861 9.084 1.00 71.41 O ATOM 213 OE2 GLU A 15 -0.415 -7.956 7.496 1.00 44.15 O ATOM 0 H GLU A 15 4.655 -9.604 6.675 1.00 3.40 H new ATOM 0 HA GLU A 15 3.988 -7.062 5.674 1.00 62.23 H new ATOM 0 HB2 GLU A 15 2.622 -9.033 6.789 1.00 13.23 H new ATOM 0 HB3 GLU A 15 2.988 -8.208 8.291 1.00 13.23 H new ATOM 0 HG2 GLU A 15 2.093 -6.061 7.066 1.00 24.41 H new ATOM 0 HG3 GLU A 15 1.383 -7.190 5.929 1.00 24.41 H new ATOM 218 N ASP A 16 5.601 -7.071 8.523 1.00 14.42 N ATOM 219 CA ASP A 16 6.330 -6.297 9.511 1.00 75.14 C ATOM 220 C ASP A 16 7.413 -5.411 8.878 1.00 75.04 C ATOM 221 O ASP A 16 7.752 -4.376 9.443 1.00 24.24 O ATOM 222 CB ASP A 16 6.958 -7.278 10.496 1.00 64.15 C ATOM 223 CG ASP A 16 7.204 -6.660 11.862 1.00 64.02 C ATOM 224 OD1 ASP A 16 6.217 -6.205 12.484 1.00 35.22 O ATOM 225 OD2 ASP A 16 8.343 -6.778 12.376 1.00 20.14 O ATOM 0 H ASP A 16 5.726 -8.077 8.638 1.00 14.42 H new ATOM 0 HA ASP A 16 5.638 -5.622 10.015 1.00 75.14 H new ATOM 0 HB2 ASP A 16 6.306 -8.144 10.606 1.00 64.15 H new ATOM 0 HB3 ASP A 16 7.903 -7.640 10.090 1.00 64.15 H new ATOM 229 N ASP A 17 7.938 -5.794 7.703 1.00 55.41 N ATOM 230 CA ASP A 17 8.942 -5.014 6.971 1.00 53.43 C ATOM 231 C ASP A 17 8.297 -3.716 6.483 1.00 31.11 C ATOM 232 O ASP A 17 8.709 -2.612 6.840 1.00 41.51 O ATOM 233 CB ASP A 17 9.525 -5.786 5.775 1.00 11.24 C ATOM 234 CG ASP A 17 10.784 -5.080 5.287 1.00 62.31 C ATOM 235 OD1 ASP A 17 10.665 -4.004 4.665 1.00 41.24 O ATOM 236 OD2 ASP A 17 11.892 -5.630 5.498 1.00 21.04 O ATOM 0 H ASP A 17 7.674 -6.660 7.233 1.00 55.41 H new ATOM 0 HA ASP A 17 9.768 -4.804 7.650 1.00 53.43 H new ATOM 0 HB2 ASP A 17 9.758 -6.810 6.067 1.00 11.24 H new ATOM 0 HB3 ASP A 17 8.791 -5.843 4.971 1.00 11.24 H new ATOM 240 N ILE A 18 7.189 -3.882 5.747 1.00 62.01 N ATOM 241 CA ILE A 18 6.283 -2.824 5.320 1.00 14.42 C ATOM 242 C ILE A 18 5.908 -2.015 6.547 1.00 75.22 C ATOM 243 O ILE A 18 6.035 -0.802 6.482 1.00 2.50 O ATOM 244 CB ILE A 18 5.076 -3.403 4.545 1.00 74.32 C ATOM 245 CG1 ILE A 18 5.553 -4.193 3.300 1.00 40.51 C ATOM 246 CG2 ILE A 18 4.101 -2.287 4.116 1.00 1.42 C ATOM 247 CD1 ILE A 18 4.435 -4.977 2.605 1.00 43.13 C ATOM 0 H ILE A 18 6.893 -4.802 5.422 1.00 62.01 H new ATOM 0 HA ILE A 18 6.763 -2.152 4.608 1.00 14.42 H new ATOM 0 HB ILE A 18 4.549 -4.082 5.215 1.00 74.32 H new ATOM 0 HG12 ILE A 18 5.995 -3.498 2.587 1.00 40.51 H new ATOM 0 HG13 ILE A 18 6.339 -4.886 3.599 1.00 40.51 H new ATOM 0 HG21 ILE A 18 3.263 -2.725 3.573 1.00 1.42 H new ATOM 0 HG22 ILE A 18 3.730 -1.768 5.000 1.00 1.42 H new ATOM 0 HG23 ILE A 18 4.620 -1.578 3.471 1.00 1.42 H new ATOM 0 HD11 ILE A 18 4.843 -5.505 1.743 1.00 43.13 H new ATOM 0 HD12 ILE A 18 4.008 -5.697 3.303 1.00 43.13 H new ATOM 0 HD13 ILE A 18 3.658 -4.287 2.274 1.00 43.13 H new ATOM 258 N ARG A 19 5.493 -2.635 7.655 1.00 22.20 N ATOM 259 CA ARG A 19 5.050 -1.904 8.843 1.00 63.35 C ATOM 260 C ARG A 19 6.127 -1.007 9.443 1.00 32.44 C ATOM 261 O ARG A 19 5.753 -0.003 10.064 1.00 13.32 O ATOM 262 CB ARG A 19 4.460 -2.849 9.879 1.00 44.33 C ATOM 263 CG ARG A 19 3.083 -3.328 9.388 1.00 43.14 C ATOM 264 CD ARG A 19 2.448 -4.373 10.308 1.00 64.15 C ATOM 265 NE ARG A 19 1.010 -4.123 10.499 1.00 40.41 N ATOM 266 CZ ARG A 19 0.505 -3.116 11.230 1.00 44.55 C ATOM 267 NH1 ARG A 19 1.300 -2.379 11.999 1.00 55.11 N ATOM 268 NH2 ARG A 19 -0.786 -2.827 11.183 1.00 44.32 N ATOM 0 H ARG A 19 5.455 -3.650 7.753 1.00 22.20 H new ATOM 0 HA ARG A 19 4.262 -1.229 8.510 1.00 63.35 H new ATOM 0 HB2 ARG A 19 5.123 -3.701 10.033 1.00 44.33 H new ATOM 0 HB3 ARG A 19 4.363 -2.343 10.839 1.00 44.33 H new ATOM 0 HG2 ARG A 19 2.415 -2.471 9.306 1.00 43.14 H new ATOM 0 HG3 ARG A 19 3.187 -3.748 8.388 1.00 43.14 H new ATOM 0 HD2 ARG A 19 2.592 -5.367 9.885 1.00 64.15 H new ATOM 0 HD3 ARG A 19 2.952 -4.362 11.275 1.00 64.15 H new ATOM 0 HE ARG A 19 0.353 -4.758 10.045 1.00 40.41 H new ATOM 0 HH11 ARG A 19 2.300 -2.577 12.036 1.00 55.11 H new ATOM 0 HH12 ARG A 19 0.910 -1.616 12.552 1.00 55.11 H new ATOM 0 HH21 ARG A 19 -1.409 -3.372 10.587 1.00 44.32 H new ATOM 0 HH22 ARG A 19 -1.158 -2.060 11.743 1.00 44.32 H new ATOM 279 N GLY A 20 7.404 -1.283 9.187 1.00 24.32 N ATOM 280 CA GLY A 20 8.487 -0.375 9.521 1.00 42.12 C ATOM 281 C GLY A 20 8.836 0.674 8.463 1.00 72.15 C ATOM 282 O GLY A 20 9.481 1.671 8.805 1.00 22.31 O ATOM 0 H GLY A 20 7.713 -2.147 8.741 1.00 24.32 H new ATOM 0 HA2 GLY A 20 8.228 0.142 10.445 1.00 42.12 H new ATOM 0 HA3 GLY A 20 9.380 -0.966 9.726 1.00 42.12 H new ATOM 286 N GLN A 21 8.380 0.547 7.209 1.00 52.35 N ATOM 287 CA GLN A 21 8.780 1.473 6.161 1.00 62.13 C ATOM 288 C GLN A 21 8.037 2.787 6.375 1.00 62.15 C ATOM 289 O GLN A 21 8.543 3.854 6.046 1.00 52.25 O ATOM 290 CB GLN A 21 8.484 0.860 4.772 1.00 44.35 C ATOM 291 CG GLN A 21 9.723 0.233 4.111 1.00 34.13 C ATOM 292 CD GLN A 21 10.403 1.176 3.115 1.00 52.12 C ATOM 293 OE1 GLN A 21 10.738 0.812 1.990 1.00 31.33 O ATOM 294 NE2 GLN A 21 10.591 2.435 3.467 1.00 3.20 N ATOM 0 H GLN A 21 7.738 -0.185 6.905 1.00 52.35 H new ATOM 0 HA GLN A 21 9.852 1.665 6.203 1.00 62.13 H new ATOM 0 HB2 GLN A 21 7.711 0.099 4.875 1.00 44.35 H new ATOM 0 HB3 GLN A 21 8.084 1.635 4.118 1.00 44.35 H new ATOM 0 HG2 GLN A 21 10.438 -0.049 4.884 1.00 34.13 H new ATOM 0 HG3 GLN A 21 9.431 -0.683 3.597 1.00 34.13 H new ATOM 0 HE21 GLN A 21 10.318 2.751 4.398 1.00 3.20 H new ATOM 0 HE22 GLN A 21 11.010 3.092 2.808 1.00 3.20 H new ATOM 301 N LEU A 22 6.823 2.716 6.913 1.00 14.52 N ATOM 302 CA LEU A 22 5.860 3.806 6.869 1.00 33.41 C ATOM 303 C LEU A 22 6.206 4.782 7.962 1.00 44.43 C ATOM 304 O LEU A 22 6.271 5.990 7.742 1.00 35.44 O ATOM 305 CB LEU A 22 4.447 3.264 7.100 1.00 40.11 C ATOM 306 CG LEU A 22 4.140 1.946 6.383 1.00 20.21 C ATOM 307 CD1 LEU A 22 4.844 1.672 5.087 1.00 64.02 C ATOM 308 CD2 LEU A 22 3.961 0.856 7.397 1.00 51.12 C ATOM 0 H LEU A 22 6.478 1.888 7.398 1.00 14.52 H new ATOM 0 HA LEU A 22 5.894 4.294 5.895 1.00 33.41 H new ATOM 0 HB2 LEU A 22 4.298 3.122 8.170 1.00 40.11 H new ATOM 0 HB3 LEU A 22 3.727 4.015 6.774 1.00 40.11 H new ATOM 0 HG LEU A 22 3.172 2.032 5.890 1.00 20.21 H new ATOM 0 HD11 LEU A 22 4.527 0.704 4.698 1.00 64.02 H new ATOM 0 HD12 LEU A 22 4.596 2.452 4.367 1.00 64.02 H new ATOM 0 HD13 LEU A 22 5.921 1.661 5.253 1.00 64.02 H new ATOM 0 HD21 LEU A 22 3.742 -0.083 6.888 1.00 51.12 H new ATOM 0 HD22 LEU A 22 4.875 0.748 7.980 1.00 51.12 H new ATOM 0 HD23 LEU A 22 3.135 1.109 8.061 1.00 51.12 H new ATOM 319 N GLN A 23 6.474 4.210 9.134 1.00 22.20 N ATOM 320 CA GLN A 23 6.979 4.953 10.274 1.00 34.24 C ATOM 321 C GLN A 23 8.281 5.694 9.950 1.00 35.43 C ATOM 322 O GLN A 23 8.486 6.761 10.527 1.00 64.15 O ATOM 323 CB GLN A 23 7.190 4.052 11.500 1.00 55.25 C ATOM 324 CG GLN A 23 5.902 3.527 12.157 1.00 64.14 C ATOM 325 CD GLN A 23 5.996 3.627 13.682 1.00 2.41 C ATOM 326 OE1 GLN A 23 5.942 4.729 14.234 1.00 63.23 O ATOM 327 NE2 GLN A 23 6.164 2.522 14.392 1.00 40.21 N ATOM 0 H GLN A 23 6.345 3.215 9.315 1.00 22.20 H new ATOM 0 HA GLN A 23 6.213 5.691 10.512 1.00 34.24 H new ATOM 0 HB2 GLN A 23 7.801 3.199 11.203 1.00 55.25 H new ATOM 0 HB3 GLN A 23 7.759 4.608 12.246 1.00 55.25 H new ATOM 0 HG2 GLN A 23 5.046 4.101 11.802 1.00 64.14 H new ATOM 0 HG3 GLN A 23 5.735 2.490 11.865 1.00 64.14 H new ATOM 0 HE21 GLN A 23 6.207 1.617 13.924 1.00 40.21 H new ATOM 0 HE22 GLN A 23 6.250 2.576 15.407 1.00 40.21 H new ATOM 334 N SER A 24 9.109 5.220 9.007 1.00 3.40 N ATOM 335 CA SER A 24 10.256 5.984 8.513 1.00 61.45 C ATOM 336 C SER A 24 9.770 7.341 7.993 1.00 61.43 C ATOM 337 O SER A 24 10.177 8.389 8.495 1.00 51.22 O ATOM 338 CB SER A 24 11.015 5.189 7.436 1.00 44.51 C ATOM 339 OG SER A 24 12.284 5.748 7.185 1.00 72.02 O ATOM 0 H SER A 24 9.001 4.304 8.571 1.00 3.40 H new ATOM 0 HA SER A 24 10.960 6.161 9.326 1.00 61.45 H new ATOM 0 HB2 SER A 24 11.129 4.154 7.758 1.00 44.51 H new ATOM 0 HB3 SER A 24 10.433 5.174 6.514 1.00 44.51 H new ATOM 0 HG SER A 24 12.743 5.221 6.498 1.00 72.02 H new ATOM 344 N HIS A 25 8.815 7.319 7.061 1.00 22.22 N ATOM 345 CA HIS A 25 8.194 8.507 6.485 1.00 43.11 C ATOM 346 C HIS A 25 7.211 9.205 7.448 1.00 40.14 C ATOM 347 O HIS A 25 6.682 10.261 7.111 1.00 34.13 O ATOM 348 CB HIS A 25 7.516 8.115 5.163 1.00 43.21 C ATOM 349 CG HIS A 25 8.474 7.525 4.164 1.00 55.45 C ATOM 350 ND1 HIS A 25 9.380 8.204 3.374 1.00 55.51 N ATOM 351 CD2 HIS A 25 8.609 6.192 3.904 1.00 2.11 C ATOM 352 CE1 HIS A 25 10.051 7.290 2.656 1.00 13.20 C ATOM 353 NE2 HIS A 25 9.623 6.051 2.962 1.00 1.51 N ATOM 0 H HIS A 25 8.444 6.449 6.678 1.00 22.22 H new ATOM 0 HA HIS A 25 8.974 9.244 6.296 1.00 43.11 H new ATOM 0 HB2 HIS A 25 6.723 7.395 5.367 1.00 43.21 H new ATOM 0 HB3 HIS A 25 7.043 8.996 4.728 1.00 43.21 H new ATOM 0 HD2 HIS A 25 8.034 5.393 4.348 1.00 2.11 H new ATOM 0 HE1 HIS A 25 10.824 7.516 1.936 1.00 13.20 H new ATOM 0 HE2 HIS A 25 9.975 5.175 2.576 1.00 1.51 H new ATOM 360 N GLY A 26 6.927 8.648 8.629 1.00 71.03 N ATOM 361 CA GLY A 26 6.072 9.249 9.652 1.00 12.43 C ATOM 362 C GLY A 26 4.615 8.785 9.570 1.00 43.15 C ATOM 363 O GLY A 26 3.819 9.059 10.472 1.00 52.13 O ATOM 0 H GLY A 26 7.298 7.739 8.906 1.00 71.03 H new ATOM 0 HA2 GLY A 26 6.469 9.005 10.637 1.00 12.43 H new ATOM 0 HA3 GLY A 26 6.107 10.334 9.554 1.00 12.43 H new ATOM 367 N VAL A 27 4.262 8.008 8.549 1.00 11.20 N ATOM 368 CA VAL A 27 2.943 7.413 8.346 1.00 54.31 C ATOM 369 C VAL A 27 2.788 6.232 9.314 1.00 52.45 C ATOM 370 O VAL A 27 3.758 5.762 9.920 1.00 32.20 O ATOM 371 CB VAL A 27 2.819 6.942 6.879 1.00 54.25 C ATOM 372 CG1 VAL A 27 1.377 6.892 6.371 1.00 55.24 C ATOM 373 CG2 VAL A 27 3.648 7.744 5.875 1.00 75.02 C ATOM 0 H VAL A 27 4.918 7.765 7.806 1.00 11.20 H new ATOM 0 HA VAL A 27 2.156 8.141 8.542 1.00 54.31 H new ATOM 0 HB VAL A 27 3.225 5.932 6.929 1.00 54.25 H new ATOM 0 HG11 VAL A 27 1.368 6.553 5.335 1.00 55.24 H new ATOM 0 HG12 VAL A 27 0.799 6.201 6.984 1.00 55.24 H new ATOM 0 HG13 VAL A 27 0.935 7.887 6.431 1.00 55.24 H new ATOM 0 HG21 VAL A 27 3.497 7.341 4.874 1.00 75.02 H new ATOM 0 HG22 VAL A 27 3.335 8.788 5.897 1.00 75.02 H new ATOM 0 HG23 VAL A 27 4.704 7.676 6.138 1.00 75.02 H new ATOM 383 N GLN A 28 1.579 5.697 9.419 1.00 62.32 N ATOM 384 CA GLN A 28 1.310 4.389 9.991 1.00 0.52 C ATOM 385 C GLN A 28 0.728 3.515 8.883 1.00 35.43 C ATOM 386 O GLN A 28 0.011 4.036 8.032 1.00 75.04 O ATOM 387 CB GLN A 28 0.343 4.560 11.176 1.00 43.41 C ATOM 388 CG GLN A 28 -1.142 4.798 10.832 1.00 0.11 C ATOM 389 CD GLN A 28 -1.521 6.133 10.184 1.00 41.25 C ATOM 390 OE1 GLN A 28 -1.942 7.068 10.856 1.00 53.13 O ATOM 391 NE2 GLN A 28 -1.485 6.209 8.865 1.00 42.41 N ATOM 0 H GLN A 28 0.737 6.176 9.099 1.00 62.32 H new ATOM 0 HA GLN A 28 2.211 3.909 10.373 1.00 0.52 H new ATOM 0 HB2 GLN A 28 0.409 3.669 11.800 1.00 43.41 H new ATOM 0 HB3 GLN A 28 0.691 5.398 11.780 1.00 43.41 H new ATOM 0 HG2 GLN A 28 -1.463 3.999 10.164 1.00 0.11 H new ATOM 0 HG3 GLN A 28 -1.719 4.696 11.751 1.00 0.11 H new ATOM 0 HE21 GLN A 28 -1.132 5.423 8.318 1.00 42.41 H new ATOM 0 HE22 GLN A 28 -1.810 7.053 8.394 1.00 42.41 H new ATOM 398 N ALA A 29 0.923 2.201 8.903 1.00 72.42 N ATOM 399 CA ALA A 29 -0.039 1.303 8.349 1.00 64.31 C ATOM 400 C ALA A 29 -1.209 1.227 9.316 1.00 54.55 C ATOM 401 O ALA A 29 -0.982 0.967 10.499 1.00 63.03 O ATOM 402 CB ALA A 29 0.542 -0.082 8.090 1.00 0.32 C ATOM 0 H ALA A 29 1.746 1.750 9.302 1.00 72.42 H new ATOM 0 HA ALA A 29 -0.363 1.678 7.378 1.00 64.31 H new ATOM 0 HB1 ALA A 29 -0.229 -0.727 7.669 1.00 0.32 H new ATOM 0 HB2 ALA A 29 1.372 -0.003 7.388 1.00 0.32 H new ATOM 0 HB3 ALA A 29 0.899 -0.508 9.028 1.00 0.32 H new ATOM 408 N ARG A 30 -2.438 1.453 8.842 1.00 11.32 N ATOM 409 CA ARG A 30 -3.604 1.043 9.616 1.00 2.33 C ATOM 410 C ARG A 30 -3.896 -0.410 9.246 1.00 40.52 C ATOM 411 O ARG A 30 -3.807 -1.275 10.111 1.00 41.15 O ATOM 412 CB ARG A 30 -4.804 2.000 9.439 1.00 41.45 C ATOM 413 CG ARG A 30 -5.360 2.438 10.813 1.00 55.51 C ATOM 414 CD ARG A 30 -4.622 3.669 11.373 1.00 52.54 C ATOM 415 NE ARG A 30 -4.293 3.536 12.807 1.00 14.54 N ATOM 416 CZ ARG A 30 -4.022 4.502 13.701 1.00 13.31 C ATOM 417 NH1 ARG A 30 -4.247 5.781 13.431 1.00 62.35 N ATOM 418 NH2 ARG A 30 -3.524 4.187 14.893 1.00 3.42 N ATOM 0 H ARG A 30 -2.645 1.905 7.951 1.00 11.32 H new ATOM 0 HA ARG A 30 -3.401 1.104 10.685 1.00 2.33 H new ATOM 0 HB2 ARG A 30 -4.496 2.877 8.870 1.00 41.45 H new ATOM 0 HB3 ARG A 30 -5.588 1.506 8.864 1.00 41.45 H new ATOM 0 HG2 ARG A 30 -6.422 2.665 10.718 1.00 55.51 H new ATOM 0 HG3 ARG A 30 -5.273 1.612 11.519 1.00 55.51 H new ATOM 0 HD2 ARG A 30 -3.703 3.825 10.807 1.00 52.54 H new ATOM 0 HD3 ARG A 30 -5.240 4.555 11.227 1.00 52.54 H new ATOM 0 HE ARG A 30 -4.268 2.582 13.167 1.00 14.54 H new ATOM 0 HH11 ARG A 30 -4.635 6.051 12.527 1.00 62.35 H new ATOM 0 HH12 ARG A 30 -4.032 6.495 14.127 1.00 62.35 H new ATOM 0 HH21 ARG A 30 -3.347 3.211 15.130 1.00 3.42 H new ATOM 0 HH22 ARG A 30 -3.319 4.922 15.570 1.00 3.42 H new ATOM 429 N GLU A 31 -4.149 -0.692 7.972 1.00 43.51 N ATOM 430 CA GLU A 31 -4.360 -2.028 7.428 1.00 22.24 C ATOM 431 C GLU A 31 -3.117 -2.420 6.623 1.00 14.30 C ATOM 432 O GLU A 31 -2.479 -1.548 6.031 1.00 75.13 O ATOM 433 CB GLU A 31 -5.535 -1.924 6.454 1.00 24.13 C ATOM 434 CG GLU A 31 -6.205 -3.223 6.005 1.00 13.32 C ATOM 435 CD GLU A 31 -7.428 -3.562 6.853 1.00 73.24 C ATOM 436 OE1 GLU A 31 -8.480 -2.908 6.657 1.00 60.24 O ATOM 437 OE2 GLU A 31 -7.367 -4.540 7.636 1.00 3.35 O ATOM 0 H GLU A 31 -4.215 0.036 7.260 1.00 43.51 H new ATOM 0 HA GLU A 31 -4.548 -2.756 8.217 1.00 22.24 H new ATOM 0 HB2 GLU A 31 -6.297 -1.296 6.915 1.00 24.13 H new ATOM 0 HB3 GLU A 31 -5.187 -1.401 5.563 1.00 24.13 H new ATOM 0 HG2 GLU A 31 -6.502 -3.134 4.960 1.00 13.32 H new ATOM 0 HG3 GLU A 31 -5.486 -4.040 6.064 1.00 13.32 H new ATOM 442 N VAL A 32 -2.842 -3.715 6.482 1.00 20.21 N ATOM 443 CA VAL A 32 -1.918 -4.257 5.482 1.00 73.12 C ATOM 444 C VAL A 32 -2.497 -5.578 4.947 1.00 1.41 C ATOM 445 O VAL A 32 -3.380 -6.182 5.563 1.00 71.32 O ATOM 446 CB VAL A 32 -0.489 -4.442 6.056 1.00 72.15 C ATOM 447 CG1 VAL A 32 0.573 -4.609 4.947 1.00 35.44 C ATOM 448 CG2 VAL A 32 0.008 -3.285 6.929 1.00 0.21 C ATOM 0 H VAL A 32 -3.263 -4.434 7.071 1.00 20.21 H new ATOM 0 HA VAL A 32 -1.818 -3.548 4.660 1.00 73.12 H new ATOM 0 HB VAL A 32 -0.595 -5.341 6.664 1.00 72.15 H new ATOM 0 HG11 VAL A 32 1.556 -4.735 5.401 1.00 35.44 H new ATOM 0 HG12 VAL A 32 0.336 -5.486 4.345 1.00 35.44 H new ATOM 0 HG13 VAL A 32 0.578 -3.724 4.311 1.00 35.44 H new ATOM 0 HG21 VAL A 32 1.015 -3.504 7.285 1.00 0.21 H new ATOM 0 HG22 VAL A 32 0.022 -2.367 6.342 1.00 0.21 H new ATOM 0 HG23 VAL A 32 -0.659 -3.160 7.782 1.00 0.21 H new ATOM 458 N ARG A 33 -2.006 -6.028 3.788 1.00 40.44 N ATOM 459 CA ARG A 33 -2.319 -7.308 3.150 1.00 35.00 C ATOM 460 C ARG A 33 -1.068 -7.855 2.486 1.00 74.35 C ATOM 461 O ARG A 33 -1.001 -7.945 1.257 1.00 74.04 O ATOM 462 CB ARG A 33 -3.476 -7.136 2.149 1.00 74.01 C ATOM 463 CG ARG A 33 -4.801 -6.641 2.749 1.00 72.31 C ATOM 464 CD ARG A 33 -5.887 -6.707 1.672 1.00 61.12 C ATOM 465 NE ARG A 33 -7.160 -6.131 2.125 1.00 44.35 N ATOM 466 CZ ARG A 33 -8.266 -5.987 1.389 1.00 12.24 C ATOM 467 NH1 ARG A 33 -8.363 -6.606 0.215 1.00 23.22 N ATOM 468 NH2 ARG A 33 -9.263 -5.223 1.833 1.00 51.54 N ATOM 0 H ARG A 33 -1.344 -5.478 3.241 1.00 40.44 H new ATOM 0 HA ARG A 33 -2.648 -8.028 3.900 1.00 35.00 H new ATOM 0 HB2 ARG A 33 -3.163 -6.435 1.376 1.00 74.01 H new ATOM 0 HB3 ARG A 33 -3.654 -8.093 1.658 1.00 74.01 H new ATOM 0 HG2 ARG A 33 -5.081 -7.256 3.605 1.00 72.31 H new ATOM 0 HG3 ARG A 33 -4.692 -5.619 3.113 1.00 72.31 H new ATOM 0 HD2 ARG A 33 -5.547 -6.175 0.783 1.00 61.12 H new ATOM 0 HD3 ARG A 33 -6.044 -7.746 1.381 1.00 61.12 H new ATOM 0 HE ARG A 33 -7.204 -5.811 3.092 1.00 44.35 H new ATOM 0 HH11 ARG A 33 -7.595 -7.188 -0.120 1.00 23.22 H new ATOM 0 HH12 ARG A 33 -9.205 -6.499 -0.350 1.00 23.22 H new ATOM 0 HH21 ARG A 33 -9.181 -4.750 2.733 1.00 51.54 H new ATOM 0 HH22 ARG A 33 -10.108 -5.111 1.273 1.00 51.54 H new ATOM 479 N LEU A 34 -0.064 -8.201 3.289 1.00 41.31 N ATOM 480 CA LEU A 34 1.071 -9.000 2.862 1.00 23.04 C ATOM 481 C LEU A 34 0.944 -10.350 3.581 1.00 71.03 C ATOM 482 O LEU A 34 -0.158 -10.772 3.914 1.00 52.21 O ATOM 483 CB LEU A 34 2.394 -8.282 3.151 1.00 74.12 C ATOM 484 CG LEU A 34 3.583 -8.718 2.238 1.00 44.32 C ATOM 485 CD1 LEU A 34 4.764 -9.160 3.099 1.00 11.52 C ATOM 486 CD2 LEU A 34 3.371 -9.823 1.177 1.00 41.34 C ATOM 0 H LEU A 34 -0.020 -7.927 4.270 1.00 41.31 H new ATOM 0 HA LEU A 34 1.072 -9.158 1.783 1.00 23.04 H new ATOM 0 HB2 LEU A 34 2.242 -7.209 3.039 1.00 74.12 H new ATOM 0 HB3 LEU A 34 2.668 -8.458 4.191 1.00 74.12 H new ATOM 0 HG LEU A 34 3.740 -7.809 1.658 1.00 44.32 H new ATOM 0 HD11 LEU A 34 5.590 -9.463 2.456 1.00 11.52 H new ATOM 0 HD12 LEU A 34 5.082 -8.332 3.733 1.00 11.52 H new ATOM 0 HD13 LEU A 34 4.464 -10.001 3.724 1.00 11.52 H new ATOM 0 HD21 LEU A 34 4.303 -9.994 0.638 1.00 41.34 H new ATOM 0 HD22 LEU A 34 3.062 -10.745 1.669 1.00 41.34 H new ATOM 0 HD23 LEU A 34 2.598 -9.510 0.475 1.00 41.34 H new ATOM 497 N MET A 35 2.076 -11.022 3.803 1.00 43.45 N ATOM 498 CA MET A 35 2.328 -12.363 4.245 1.00 15.14 C ATOM 499 C MET A 35 1.615 -13.361 3.336 1.00 24.11 C ATOM 500 O MET A 35 0.959 -12.993 2.370 1.00 20.12 O ATOM 501 CB MET A 35 1.822 -12.583 5.660 1.00 40.12 C ATOM 502 CG MET A 35 1.569 -11.477 6.683 1.00 75.43 C ATOM 503 SD MET A 35 0.160 -11.930 7.739 1.00 14.40 S ATOM 504 CE MET A 35 -1.174 -11.985 6.490 1.00 54.45 C ATOM 0 H MET A 35 2.964 -10.545 3.646 1.00 43.45 H new ATOM 0 HA MET A 35 3.407 -12.514 4.214 1.00 15.14 H new ATOM 0 HB2 MET A 35 0.879 -13.120 5.560 1.00 40.12 H new ATOM 0 HB3 MET A 35 2.530 -13.267 6.128 1.00 40.12 H new ATOM 0 HG2 MET A 35 2.459 -11.323 7.294 1.00 75.43 H new ATOM 0 HG3 MET A 35 1.365 -10.536 6.172 1.00 75.43 H new ATOM 0 HE1 MET A 35 -2.111 -12.268 6.970 1.00 54.45 H new ATOM 0 HE2 MET A 35 -1.284 -11.002 6.031 1.00 54.45 H new ATOM 0 HE3 MET A 35 -0.924 -12.718 5.723 1.00 54.45 H new ATOM 512 N ARG A 36 1.707 -14.643 3.678 1.00 73.14 N ATOM 513 CA ARG A 36 0.919 -15.715 3.107 1.00 3.34 C ATOM 514 C ARG A 36 -0.330 -15.836 3.950 1.00 2.40 C ATOM 515 O ARG A 36 -0.252 -15.743 5.180 1.00 23.22 O ATOM 516 CB ARG A 36 1.695 -17.039 3.135 1.00 53.35 C ATOM 517 CG ARG A 36 3.016 -17.099 2.366 1.00 2.30 C ATOM 518 CD ARG A 36 4.182 -16.366 3.027 1.00 34.13 C ATOM 519 NE ARG A 36 4.457 -16.851 4.387 1.00 0.31 N ATOM 520 CZ ARG A 36 5.376 -16.386 5.240 1.00 40.33 C ATOM 521 NH1 ARG A 36 6.126 -15.320 4.975 1.00 43.13 N ATOM 522 NH2 ARG A 36 5.544 -17.037 6.379 1.00 63.13 N ATOM 0 H ARG A 36 2.361 -14.970 4.390 1.00 73.14 H new ATOM 0 HA ARG A 36 0.679 -15.498 2.066 1.00 3.34 H new ATOM 0 HB2 ARG A 36 1.900 -17.287 4.176 1.00 53.35 H new ATOM 0 HB3 ARG A 36 1.042 -17.820 2.744 1.00 53.35 H new ATOM 0 HG2 ARG A 36 3.293 -18.144 2.231 1.00 2.30 H new ATOM 0 HG3 ARG A 36 2.860 -16.680 1.372 1.00 2.30 H new ATOM 0 HD2 ARG A 36 5.076 -16.486 2.415 1.00 34.13 H new ATOM 0 HD3 ARG A 36 3.962 -15.299 3.063 1.00 34.13 H new ATOM 0 HE ARG A 36 3.884 -17.628 4.716 1.00 0.31 H new ATOM 0 HH11 ARG A 36 6.012 -14.823 4.092 1.00 43.13 H new ATOM 0 HH12 ARG A 36 6.815 -15.000 5.655 1.00 43.13 H new ATOM 0 HH21 ARG A 36 4.982 -17.864 6.582 1.00 63.13 H new ATOM 0 HH22 ARG A 36 6.236 -16.712 7.055 1.00 63.13 H new ATOM 533 N ASN A 37 -1.475 -16.065 3.317 1.00 11.11 N ATOM 534 CA ASN A 37 -2.698 -16.409 4.013 1.00 33.31 C ATOM 535 C ASN A 37 -3.708 -17.057 3.073 1.00 64.43 C ATOM 536 O ASN A 37 -4.451 -16.354 2.388 1.00 52.53 O ATOM 537 CB ASN A 37 -3.319 -15.164 4.644 1.00 31.21 C ATOM 538 CG ASN A 37 -4.416 -15.561 5.616 1.00 24.02 C ATOM 539 OD1 ASN A 37 -4.820 -16.719 5.680 1.00 51.15 O ATOM 540 ND2 ASN A 37 -4.921 -14.593 6.343 1.00 21.21 N ATOM 0 H ASN A 37 -1.576 -16.016 2.303 1.00 11.11 H new ATOM 0 HA ASN A 37 -2.441 -17.125 4.794 1.00 33.31 H new ATOM 0 HB2 ASN A 37 -2.552 -14.590 5.164 1.00 31.21 H new ATOM 0 HB3 ASN A 37 -3.728 -14.519 3.867 1.00 31.21 H new ATOM 0 HD21 ASN A 37 -5.681 -14.788 6.995 1.00 21.21 H new ATOM 0 HD22 ASN A 37 -4.554 -13.645 6.257 1.00 21.21 H new ATOM 546 N LYS A 38 -3.789 -18.390 3.065 1.00 13.33 N ATOM 547 CA LYS A 38 -4.775 -19.126 2.266 1.00 31.42 C ATOM 548 C LYS A 38 -6.229 -18.902 2.674 1.00 52.32 C ATOM 549 O LYS A 38 -7.135 -19.328 1.953 1.00 43.53 O ATOM 550 CB LYS A 38 -4.449 -20.625 2.211 1.00 21.21 C ATOM 551 CG LYS A 38 -4.594 -21.490 3.476 1.00 1.11 C ATOM 552 CD LYS A 38 -3.723 -21.050 4.660 1.00 64.35 C ATOM 553 CE LYS A 38 -3.431 -22.199 5.629 1.00 31.33 C ATOM 554 NZ LYS A 38 -2.165 -22.909 5.331 1.00 3.22 N ATOM 0 H LYS A 38 -3.173 -18.991 3.612 1.00 13.33 H new ATOM 0 HA LYS A 38 -4.687 -18.703 1.265 1.00 31.42 H new ATOM 0 HB2 LYS A 38 -5.082 -21.067 1.442 1.00 21.21 H new ATOM 0 HB3 LYS A 38 -3.418 -20.721 1.869 1.00 21.21 H new ATOM 0 HG2 LYS A 38 -5.638 -21.480 3.788 1.00 1.11 H new ATOM 0 HG3 LYS A 38 -4.346 -22.521 3.224 1.00 1.11 H new ATOM 0 HD2 LYS A 38 -2.782 -20.647 4.285 1.00 64.35 H new ATOM 0 HD3 LYS A 38 -4.224 -20.244 5.197 1.00 64.35 H new ATOM 0 HE2 LYS A 38 -3.389 -21.807 6.645 1.00 31.33 H new ATOM 0 HE3 LYS A 38 -4.255 -22.911 5.596 1.00 31.33 H new ATOM 0 HZ1 LYS A 38 -2.025 -23.674 6.021 1.00 3.22 H new ATOM 0 HZ2 LYS A 38 -2.210 -23.311 4.373 1.00 3.22 H new ATOM 0 HZ3 LYS A 38 -1.370 -22.241 5.389 1.00 3.22 H new ATOM 564 N SER A 39 -6.461 -18.277 3.821 1.00 31.40 N ATOM 565 CA SER A 39 -7.779 -17.938 4.319 1.00 41.43 C ATOM 566 C SER A 39 -8.181 -16.517 3.899 1.00 20.02 C ATOM 567 O SER A 39 -9.366 -16.202 3.968 1.00 64.22 O ATOM 568 CB SER A 39 -7.748 -18.186 5.832 1.00 21.03 C ATOM 569 OG SER A 39 -8.860 -17.683 6.547 1.00 44.11 O ATOM 0 H SER A 39 -5.710 -17.985 4.447 1.00 31.40 H new ATOM 0 HA SER A 39 -8.563 -18.560 3.886 1.00 41.43 H new ATOM 0 HB2 SER A 39 -7.679 -19.260 6.007 1.00 21.03 H new ATOM 0 HB3 SER A 39 -6.842 -17.738 6.239 1.00 21.03 H new ATOM 0 HG SER A 39 -8.756 -17.887 7.500 1.00 44.11 H new ATOM 574 N SER A 40 -7.265 -15.671 3.409 1.00 42.51 N ATOM 575 CA SER A 40 -7.576 -14.284 3.060 1.00 32.02 C ATOM 576 C SER A 40 -7.229 -13.963 1.603 1.00 34.41 C ATOM 577 O SER A 40 -8.040 -13.350 0.908 1.00 12.33 O ATOM 578 CB SER A 40 -6.848 -13.389 4.057 1.00 3.51 C ATOM 579 OG SER A 40 -7.401 -12.099 4.139 1.00 4.42 O ATOM 0 H SER A 40 -6.292 -15.930 3.245 1.00 42.51 H new ATOM 0 HA SER A 40 -8.649 -14.107 3.129 1.00 32.02 H new ATOM 0 HB2 SER A 40 -6.875 -13.854 5.042 1.00 3.51 H new ATOM 0 HB3 SER A 40 -5.799 -13.312 3.770 1.00 3.51 H new ATOM 0 HG SER A 40 -6.898 -11.569 4.792 1.00 4.42 H new ATOM 584 N GLY A 41 -6.080 -14.430 1.102 1.00 64.12 N ATOM 585 CA GLY A 41 -5.709 -14.334 -0.309 1.00 2.20 C ATOM 586 C GLY A 41 -4.394 -13.598 -0.538 1.00 72.13 C ATOM 587 O GLY A 41 -4.145 -13.137 -1.652 1.00 61.11 O ATOM 0 H GLY A 41 -5.374 -14.891 1.676 1.00 64.12 H new ATOM 0 HA2 GLY A 41 -5.633 -15.338 -0.727 1.00 2.20 H new ATOM 0 HA3 GLY A 41 -6.503 -13.822 -0.852 1.00 2.20 H new ATOM 591 N GLN A 42 -3.585 -13.424 0.507 1.00 1.23 N ATOM 592 CA GLN A 42 -2.368 -12.619 0.462 1.00 31.34 C ATOM 593 C GLN A 42 -1.195 -13.478 -0.051 1.00 0.54 C ATOM 594 O GLN A 42 -1.334 -14.695 -0.197 1.00 0.54 O ATOM 595 CB GLN A 42 -2.111 -11.985 1.850 1.00 34.03 C ATOM 596 CG GLN A 42 -3.347 -11.641 2.702 1.00 54.43 C ATOM 597 CD GLN A 42 -4.406 -10.716 2.085 1.00 75.15 C ATOM 598 OE1 GLN A 42 -4.537 -10.527 0.874 1.00 60.12 O ATOM 599 NE2 GLN A 42 -5.237 -10.154 2.943 1.00 24.30 N ATOM 0 H GLN A 42 -3.760 -13.844 1.420 1.00 1.23 H new ATOM 0 HA GLN A 42 -2.478 -11.793 -0.241 1.00 31.34 H new ATOM 0 HB2 GLN A 42 -1.484 -12.668 2.423 1.00 34.03 H new ATOM 0 HB3 GLN A 42 -1.536 -11.071 1.703 1.00 34.03 H new ATOM 0 HG2 GLN A 42 -3.837 -12.576 2.975 1.00 54.43 H new ATOM 0 HG3 GLN A 42 -2.999 -11.182 3.627 1.00 54.43 H new ATOM 0 HE21 GLN A 42 -5.123 -10.315 3.944 1.00 24.30 H new ATOM 0 HE22 GLN A 42 -5.993 -9.559 2.605 1.00 24.30 H new ATOM 606 N SER A 43 -0.035 -12.856 -0.274 1.00 72.21 N ATOM 607 CA SER A 43 1.219 -13.346 -0.856 1.00 54.52 C ATOM 608 C SER A 43 1.086 -13.482 -2.368 1.00 54.31 C ATOM 609 O SER A 43 0.672 -14.511 -2.898 1.00 72.11 O ATOM 610 CB SER A 43 1.813 -14.582 -0.160 1.00 42.34 C ATOM 611 OG SER A 43 1.025 -15.747 -0.273 1.00 43.23 O ATOM 0 H SER A 43 0.059 -11.873 -0.019 1.00 72.21 H new ATOM 0 HA SER A 43 1.975 -12.586 -0.662 1.00 54.52 H new ATOM 0 HB2 SER A 43 2.799 -14.782 -0.580 1.00 42.34 H new ATOM 0 HB3 SER A 43 1.956 -14.356 0.897 1.00 42.34 H new ATOM 0 HG SER A 43 0.140 -15.511 -0.620 1.00 43.23 H new ATOM 616 N ARG A 44 1.385 -12.390 -3.072 1.00 63.34 N ATOM 617 CA ARG A 44 1.182 -12.291 -4.514 1.00 44.44 C ATOM 618 C ARG A 44 2.408 -11.717 -5.231 1.00 14.23 C ATOM 619 O ARG A 44 2.367 -11.537 -6.449 1.00 74.21 O ATOM 620 CB ARG A 44 -0.084 -11.449 -4.770 1.00 53.42 C ATOM 621 CG ARG A 44 -1.383 -11.989 -4.132 1.00 0.10 C ATOM 622 CD ARG A 44 -1.849 -13.307 -4.760 1.00 52.44 C ATOM 623 NE ARG A 44 -3.085 -13.840 -4.163 1.00 0.54 N ATOM 624 CZ ARG A 44 -3.705 -14.955 -4.568 1.00 64.14 C ATOM 625 NH1 ARG A 44 -3.151 -15.711 -5.515 1.00 14.14 N ATOM 626 NH2 ARG A 44 -4.874 -15.317 -4.054 1.00 32.04 N ATOM 0 H ARG A 44 1.777 -11.546 -2.654 1.00 63.34 H new ATOM 0 HA ARG A 44 1.043 -13.290 -4.928 1.00 44.44 H new ATOM 0 HB2 ARG A 44 0.091 -10.440 -4.397 1.00 53.42 H new ATOM 0 HB3 ARG A 44 -0.235 -11.370 -5.847 1.00 53.42 H new ATOM 0 HG2 ARG A 44 -1.224 -12.137 -3.064 1.00 0.10 H new ATOM 0 HG3 ARG A 44 -2.171 -11.243 -4.236 1.00 0.10 H new ATOM 0 HD2 ARG A 44 -2.007 -13.155 -5.828 1.00 52.44 H new ATOM 0 HD3 ARG A 44 -1.057 -14.049 -4.658 1.00 52.44 H new ATOM 0 HE ARG A 44 -3.498 -13.323 -3.386 1.00 0.54 H new ATOM 0 HH11 ARG A 44 -2.259 -15.439 -5.928 1.00 14.14 H new ATOM 0 HH12 ARG A 44 -3.619 -16.562 -5.827 1.00 14.14 H new ATOM 0 HH21 ARG A 44 -5.316 -14.742 -3.337 1.00 32.04 H new ATOM 0 HH22 ARG A 44 -5.330 -16.170 -4.376 1.00 32.04 H new ATOM 637 N GLY A 45 3.489 -11.367 -4.522 1.00 34.41 N ATOM 638 CA GLY A 45 4.526 -10.474 -5.046 1.00 54.21 C ATOM 639 C GLY A 45 3.982 -9.053 -5.229 1.00 0.41 C ATOM 640 O GLY A 45 4.638 -8.187 -5.817 1.00 35.02 O ATOM 0 H GLY A 45 3.667 -11.694 -3.573 1.00 34.41 H new ATOM 0 HA2 GLY A 45 5.376 -10.457 -4.364 1.00 54.21 H new ATOM 0 HA3 GLY A 45 4.891 -10.854 -6.000 1.00 54.21 H new ATOM 644 N PHE A 46 2.785 -8.807 -4.695 1.00 31.04 N ATOM 645 CA PHE A 46 2.306 -7.522 -4.262 1.00 60.03 C ATOM 646 C PHE A 46 1.641 -7.709 -2.901 1.00 13.33 C ATOM 647 O PHE A 46 1.328 -8.835 -2.497 1.00 54.21 O ATOM 648 CB PHE A 46 1.370 -6.891 -5.312 1.00 35.24 C ATOM 649 CG PHE A 46 0.174 -7.710 -5.764 1.00 4.43 C ATOM 650 CD1 PHE A 46 -0.947 -7.863 -4.924 1.00 60.05 C ATOM 651 CD2 PHE A 46 0.157 -8.264 -7.060 1.00 14.24 C ATOM 652 CE1 PHE A 46 -2.059 -8.599 -5.366 1.00 73.23 C ATOM 653 CE2 PHE A 46 -0.970 -8.973 -7.509 1.00 74.15 C ATOM 654 CZ PHE A 46 -2.070 -9.157 -6.656 1.00 40.14 C ATOM 0 H PHE A 46 2.098 -9.547 -4.551 1.00 31.04 H new ATOM 0 HA PHE A 46 3.131 -6.817 -4.157 1.00 60.03 H new ATOM 0 HB2 PHE A 46 1.000 -5.948 -4.910 1.00 35.24 H new ATOM 0 HB3 PHE A 46 1.965 -6.650 -6.193 1.00 35.24 H new ATOM 0 HD1 PHE A 46 -0.951 -7.415 -3.941 1.00 60.05 H new ATOM 0 HD2 PHE A 46 1.012 -8.143 -7.709 1.00 14.24 H new ATOM 0 HE1 PHE A 46 -2.908 -8.736 -4.713 1.00 73.23 H new ATOM 0 HE2 PHE A 46 -0.990 -9.377 -8.511 1.00 74.15 H new ATOM 0 HZ PHE A 46 -2.924 -9.727 -6.991 1.00 40.14 H new ATOM 663 N ALA A 47 1.430 -6.602 -2.204 1.00 3.51 N ATOM 664 CA ALA A 47 0.660 -6.434 -0.990 1.00 20.01 C ATOM 665 C ALA A 47 -0.150 -5.144 -1.143 1.00 23.03 C ATOM 666 O ALA A 47 0.034 -4.411 -2.122 1.00 2.50 O ATOM 667 CB ALA A 47 1.616 -6.356 0.202 1.00 72.24 C ATOM 0 H ALA A 47 1.835 -5.716 -2.508 1.00 3.51 H new ATOM 0 HA ALA A 47 -0.016 -7.272 -0.818 1.00 20.01 H new ATOM 0 HB1 ALA A 47 1.043 -6.229 1.120 1.00 72.24 H new ATOM 0 HB2 ALA A 47 2.199 -7.275 0.262 1.00 72.24 H new ATOM 0 HB3 ALA A 47 2.288 -5.508 0.074 1.00 72.24 H new ATOM 673 N PHE A 48 -1.014 -4.859 -0.172 1.00 73.24 N ATOM 674 CA PHE A 48 -1.733 -3.598 -0.062 1.00 35.41 C ATOM 675 C PHE A 48 -1.440 -3.004 1.313 1.00 22.30 C ATOM 676 O PHE A 48 -1.153 -3.744 2.257 1.00 64.11 O ATOM 677 CB PHE A 48 -3.246 -3.816 -0.246 1.00 44.12 C ATOM 678 CG PHE A 48 -3.670 -4.530 -1.521 1.00 60.11 C ATOM 679 CD1 PHE A 48 -3.561 -5.932 -1.627 1.00 75.21 C ATOM 680 CD2 PHE A 48 -4.212 -3.799 -2.596 1.00 63.21 C ATOM 681 CE1 PHE A 48 -3.971 -6.591 -2.797 1.00 4.52 C ATOM 682 CE2 PHE A 48 -4.632 -4.460 -3.764 1.00 15.54 C ATOM 683 CZ PHE A 48 -4.500 -5.854 -3.868 1.00 34.14 C ATOM 0 H PHE A 48 -1.237 -5.515 0.576 1.00 73.24 H new ATOM 0 HA PHE A 48 -1.404 -2.913 -0.844 1.00 35.41 H new ATOM 0 HB2 PHE A 48 -3.616 -4.386 0.606 1.00 44.12 H new ATOM 0 HB3 PHE A 48 -3.739 -2.844 -0.217 1.00 44.12 H new ATOM 0 HD1 PHE A 48 -3.159 -6.503 -0.803 1.00 75.21 H new ATOM 0 HD2 PHE A 48 -4.306 -2.726 -2.523 1.00 63.21 H new ATOM 0 HE1 PHE A 48 -3.879 -7.664 -2.873 1.00 4.52 H new ATOM 0 HE2 PHE A 48 -5.056 -3.895 -4.581 1.00 15.54 H new ATOM 0 HZ PHE A 48 -4.806 -6.359 -4.772 1.00 34.14 H new ATOM 692 N VAL A 49 -1.557 -1.685 1.432 1.00 40.51 N ATOM 693 CA VAL A 49 -1.722 -0.958 2.683 1.00 20.12 C ATOM 694 C VAL A 49 -3.003 -0.161 2.464 1.00 15.31 C ATOM 695 O VAL A 49 -3.096 0.531 1.446 1.00 15.12 O ATOM 696 CB VAL A 49 -0.512 -0.037 2.982 1.00 54.32 C ATOM 697 CG1 VAL A 49 -0.581 0.534 4.404 1.00 61.12 C ATOM 698 CG2 VAL A 49 0.838 -0.752 2.831 1.00 51.25 C ATOM 0 H VAL A 49 -1.538 -1.067 0.621 1.00 40.51 H new ATOM 0 HA VAL A 49 -1.779 -1.618 3.548 1.00 20.12 H new ATOM 0 HB VAL A 49 -0.574 0.762 2.243 1.00 54.32 H new ATOM 0 HG11 VAL A 49 0.282 1.175 4.581 1.00 61.12 H new ATOM 0 HG12 VAL A 49 -1.495 1.117 4.518 1.00 61.12 H new ATOM 0 HG13 VAL A 49 -0.579 -0.284 5.125 1.00 61.12 H new ATOM 0 HG21 VAL A 49 1.646 -0.055 3.053 1.00 51.25 H new ATOM 0 HG22 VAL A 49 0.884 -1.593 3.523 1.00 51.25 H new ATOM 0 HG23 VAL A 49 0.944 -1.116 1.809 1.00 51.25 H new ATOM 708 N GLU A 50 -3.994 -0.294 3.348 1.00 64.32 N ATOM 709 CA GLU A 50 -5.101 0.634 3.465 1.00 63.44 C ATOM 710 C GLU A 50 -4.690 1.576 4.593 1.00 51.51 C ATOM 711 O GLU A 50 -4.444 1.134 5.721 1.00 31.40 O ATOM 712 CB GLU A 50 -6.434 -0.099 3.758 1.00 55.21 C ATOM 713 CG GLU A 50 -7.469 0.245 2.695 1.00 64.12 C ATOM 714 CD GLU A 50 -8.925 -0.043 3.081 1.00 61.20 C ATOM 715 OE1 GLU A 50 -9.387 -1.204 2.982 1.00 42.30 O ATOM 716 OE2 GLU A 50 -9.666 0.931 3.371 1.00 44.21 O ATOM 0 H GLU A 50 -4.043 -1.067 4.011 1.00 64.32 H new ATOM 0 HA GLU A 50 -5.290 1.176 2.539 1.00 63.44 H new ATOM 0 HB2 GLU A 50 -6.268 -1.176 3.779 1.00 55.21 H new ATOM 0 HB3 GLU A 50 -6.805 0.186 4.743 1.00 55.21 H new ATOM 0 HG2 GLU A 50 -7.378 1.303 2.451 1.00 64.12 H new ATOM 0 HG3 GLU A 50 -7.234 -0.312 1.788 1.00 64.12 H new ATOM 721 N PHE A 51 -4.540 2.861 4.282 1.00 52.11 N ATOM 722 CA PHE A 51 -4.156 3.858 5.257 1.00 34.21 C ATOM 723 C PHE A 51 -5.387 4.317 6.047 1.00 2.53 C ATOM 724 O PHE A 51 -6.465 3.715 5.947 1.00 14.31 O ATOM 725 CB PHE A 51 -3.419 4.984 4.528 1.00 41.45 C ATOM 726 CG PHE A 51 -2.019 4.613 4.071 1.00 0.40 C ATOM 727 CD1 PHE A 51 -1.051 4.273 5.032 1.00 31.11 C ATOM 728 CD2 PHE A 51 -1.661 4.647 2.711 1.00 41.43 C ATOM 729 CE1 PHE A 51 0.255 3.932 4.644 1.00 23.21 C ATOM 730 CE2 PHE A 51 -0.341 4.348 2.323 1.00 62.01 C ATOM 731 CZ PHE A 51 0.600 3.952 3.286 1.00 71.21 C ATOM 0 H PHE A 51 -4.683 3.233 3.343 1.00 52.11 H new ATOM 0 HA PHE A 51 -3.469 3.453 6.000 1.00 34.21 H new ATOM 0 HB2 PHE A 51 -4.005 5.285 3.660 1.00 41.45 H new ATOM 0 HB3 PHE A 51 -3.357 5.850 5.187 1.00 41.45 H new ATOM 0 HD1 PHE A 51 -1.314 4.274 6.079 1.00 31.11 H new ATOM 0 HD2 PHE A 51 -2.399 4.902 1.965 1.00 41.43 H new ATOM 0 HE1 PHE A 51 0.988 3.656 5.387 1.00 23.21 H new ATOM 0 HE2 PHE A 51 -0.053 4.423 1.285 1.00 62.01 H new ATOM 0 HZ PHE A 51 1.594 3.662 2.979 1.00 71.21 H new ATOM 740 N SER A 52 -5.218 5.351 6.875 1.00 75.24 N ATOM 741 CA SER A 52 -6.322 5.992 7.570 1.00 3.11 C ATOM 742 C SER A 52 -6.701 7.331 6.935 1.00 41.41 C ATOM 743 O SER A 52 -7.867 7.727 7.012 1.00 40.40 O ATOM 744 CB SER A 52 -5.978 6.125 9.047 1.00 12.44 C ATOM 745 OG SER A 52 -6.993 5.491 9.808 1.00 20.25 O ATOM 0 H SER A 52 -4.308 5.763 7.078 1.00 75.24 H new ATOM 0 HA SER A 52 -7.209 5.365 7.478 1.00 3.11 H new ATOM 0 HB2 SER A 52 -5.010 5.668 9.252 1.00 12.44 H new ATOM 0 HB3 SER A 52 -5.899 7.176 9.324 1.00 12.44 H new ATOM 0 HG SER A 52 -6.970 5.827 10.728 1.00 20.25 H new ATOM 750 N HIS A 53 -5.760 8.019 6.289 1.00 23.11 N ATOM 751 CA HIS A 53 -6.007 9.287 5.626 1.00 34.23 C ATOM 752 C HIS A 53 -5.776 9.089 4.137 1.00 23.13 C ATOM 753 O HIS A 53 -4.790 8.471 3.738 1.00 22.24 O ATOM 754 CB HIS A 53 -5.072 10.365 6.192 1.00 40.43 C ATOM 755 CG HIS A 53 -5.202 10.556 7.680 1.00 54.34 C ATOM 756 ND1 HIS A 53 -6.020 11.468 8.301 1.00 54.51 N ATOM 757 CD2 HIS A 53 -4.543 9.854 8.651 1.00 3.52 C ATOM 758 CE1 HIS A 53 -5.870 11.314 9.625 1.00 54.13 C ATOM 759 NE2 HIS A 53 -4.981 10.340 9.887 1.00 12.41 N ATOM 0 H HIS A 53 -4.793 7.702 6.214 1.00 23.11 H new ATOM 0 HA HIS A 53 -7.031 9.618 5.796 1.00 34.23 H new ATOM 0 HB2 HIS A 53 -4.041 10.100 5.957 1.00 40.43 H new ATOM 0 HB3 HIS A 53 -5.279 11.312 5.693 1.00 40.43 H new ATOM 0 HD2 HIS A 53 -3.818 9.069 8.493 1.00 3.52 H new ATOM 0 HE1 HIS A 53 -6.390 11.891 10.375 1.00 54.13 H new ATOM 0 HE2 HIS A 53 -4.684 10.018 10.808 1.00 12.41 H new ATOM 766 N LEU A 54 -6.597 9.718 3.294 1.00 51.42 N ATOM 767 CA LEU A 54 -6.280 9.822 1.870 1.00 52.13 C ATOM 768 C LEU A 54 -4.930 10.528 1.728 1.00 51.54 C ATOM 769 O LEU A 54 -4.112 10.130 0.898 1.00 11.41 O ATOM 770 CB LEU A 54 -7.373 10.580 1.094 1.00 14.11 C ATOM 771 CG LEU A 54 -8.609 9.732 0.739 1.00 42.21 C ATOM 772 CD1 LEU A 54 -9.436 9.323 1.963 1.00 33.45 C ATOM 773 CD2 LEU A 54 -9.506 10.515 -0.225 1.00 60.11 C ATOM 0 H LEU A 54 -7.475 10.158 3.568 1.00 51.42 H new ATOM 0 HA LEU A 54 -6.230 8.821 1.442 1.00 52.13 H new ATOM 0 HB2 LEU A 54 -7.694 11.437 1.687 1.00 14.11 H new ATOM 0 HB3 LEU A 54 -6.941 10.973 0.174 1.00 14.11 H new ATOM 0 HG LEU A 54 -8.237 8.817 0.279 1.00 42.21 H new ATOM 0 HD11 LEU A 54 -10.291 8.728 1.642 1.00 33.45 H new ATOM 0 HD12 LEU A 54 -8.817 8.733 2.640 1.00 33.45 H new ATOM 0 HD13 LEU A 54 -9.788 10.216 2.479 1.00 33.45 H new ATOM 0 HD21 LEU A 54 -10.381 9.915 -0.476 1.00 60.11 H new ATOM 0 HD22 LEU A 54 -9.826 11.443 0.249 1.00 60.11 H new ATOM 0 HD23 LEU A 54 -8.950 10.745 -1.134 1.00 60.11 H new ATOM 784 N GLN A 55 -4.669 11.522 2.583 1.00 74.43 N ATOM 785 CA GLN A 55 -3.389 12.203 2.663 1.00 20.15 C ATOM 786 C GLN A 55 -2.224 11.241 2.902 1.00 62.23 C ATOM 787 O GLN A 55 -1.146 11.484 2.369 1.00 2.23 O ATOM 788 CB GLN A 55 -3.465 13.280 3.758 1.00 44.34 C ATOM 789 CG GLN A 55 -2.159 14.069 3.966 1.00 64.05 C ATOM 790 CD GLN A 55 -1.378 13.631 5.204 1.00 15.10 C ATOM 791 OE1 GLN A 55 -1.489 14.237 6.263 1.00 13.30 O ATOM 792 NE2 GLN A 55 -0.593 12.574 5.112 1.00 20.33 N ATOM 0 H GLN A 55 -5.358 11.876 3.247 1.00 74.43 H new ATOM 0 HA GLN A 55 -3.189 12.674 1.700 1.00 20.15 H new ATOM 0 HB2 GLN A 55 -4.262 13.980 3.507 1.00 44.34 H new ATOM 0 HB3 GLN A 55 -3.742 12.805 4.699 1.00 44.34 H new ATOM 0 HG2 GLN A 55 -1.527 13.950 3.086 1.00 64.05 H new ATOM 0 HG3 GLN A 55 -2.393 15.130 4.050 1.00 64.05 H new ATOM 0 HE21 GLN A 55 -0.508 12.077 4.225 1.00 20.33 H new ATOM 0 HE22 GLN A 55 -0.071 12.254 5.928 1.00 20.33 H new ATOM 799 N ASP A 56 -2.377 10.173 3.691 1.00 73.35 N ATOM 800 CA ASP A 56 -1.272 9.249 3.982 1.00 52.31 C ATOM 801 C ASP A 56 -0.798 8.619 2.678 1.00 40.11 C ATOM 802 O ASP A 56 0.404 8.432 2.490 1.00 31.11 O ATOM 803 CB ASP A 56 -1.707 8.057 4.856 1.00 74.45 C ATOM 804 CG ASP A 56 -2.005 8.287 6.335 1.00 35.31 C ATOM 805 OD1 ASP A 56 -1.294 9.073 6.995 1.00 15.43 O ATOM 806 OD2 ASP A 56 -2.909 7.596 6.867 1.00 44.15 O ATOM 0 H ASP A 56 -3.258 9.925 4.142 1.00 73.35 H new ATOM 0 HA ASP A 56 -0.510 9.837 4.494 1.00 52.31 H new ATOM 0 HB2 ASP A 56 -2.601 7.628 4.404 1.00 74.45 H new ATOM 0 HB3 ASP A 56 -0.924 7.301 4.793 1.00 74.45 H new ATOM 810 N ALA A 57 -1.742 8.294 1.783 1.00 11.32 N ATOM 811 CA ALA A 57 -1.471 7.555 0.568 1.00 15.53 C ATOM 812 C ALA A 57 -0.605 8.430 -0.321 1.00 1.53 C ATOM 813 O ALA A 57 0.480 8.028 -0.728 1.00 53.35 O ATOM 814 CB ALA A 57 -2.779 7.146 -0.109 1.00 43.23 C ATOM 0 H ALA A 57 -2.724 8.546 1.896 1.00 11.32 H new ATOM 0 HA ALA A 57 -0.937 6.629 0.782 1.00 15.53 H new ATOM 0 HB1 ALA A 57 -2.559 6.591 -1.021 1.00 43.23 H new ATOM 0 HB2 ALA A 57 -3.358 6.517 0.567 1.00 43.23 H new ATOM 0 HB3 ALA A 57 -3.355 8.038 -0.357 1.00 43.23 H new ATOM 820 N THR A 58 -1.067 9.653 -0.568 1.00 20.14 N ATOM 821 CA THR A 58 -0.359 10.630 -1.367 1.00 31.00 C ATOM 822 C THR A 58 1.005 10.941 -0.773 1.00 74.05 C ATOM 823 O THR A 58 1.998 10.988 -1.497 1.00 15.10 O ATOM 824 CB THR A 58 -1.169 11.924 -1.427 1.00 34.11 C ATOM 825 OG1 THR A 58 -2.552 11.739 -1.202 1.00 34.00 O ATOM 826 CG2 THR A 58 -0.982 12.605 -2.763 1.00 15.12 C ATOM 0 H THR A 58 -1.960 9.992 -0.209 1.00 20.14 H new ATOM 0 HA THR A 58 -0.224 10.214 -2.365 1.00 31.00 H new ATOM 0 HB THR A 58 -0.786 12.546 -0.618 1.00 34.11 H new ATOM 0 HG1 THR A 58 -3.010 12.604 -1.252 1.00 34.00 H new ATOM 0 HG21 THR A 58 -1.566 13.525 -2.787 1.00 15.12 H new ATOM 0 HG22 THR A 58 0.072 12.841 -2.907 1.00 15.12 H new ATOM 0 HG23 THR A 58 -1.317 11.941 -3.560 1.00 15.12 H new ATOM 834 N ARG A 59 1.054 11.173 0.541 1.00 61.05 N ATOM 835 CA ARG A 59 2.285 11.542 1.211 1.00 35.23 C ATOM 836 C ARG A 59 3.305 10.433 0.986 1.00 42.42 C ATOM 837 O ARG A 59 4.428 10.733 0.590 1.00 74.42 O ATOM 838 CB ARG A 59 1.975 11.863 2.684 1.00 54.13 C ATOM 839 CG ARG A 59 3.035 12.758 3.317 1.00 13.22 C ATOM 840 CD ARG A 59 2.499 13.443 4.588 1.00 33.00 C ATOM 841 NE ARG A 59 3.428 14.453 5.116 1.00 51.22 N ATOM 842 CZ ARG A 59 3.714 15.632 4.546 1.00 31.40 C ATOM 843 NH1 ARG A 59 3.115 16.023 3.425 1.00 0.10 N ATOM 844 NH2 ARG A 59 4.627 16.430 5.081 1.00 34.24 N ATOM 0 H ARG A 59 0.245 11.109 1.158 1.00 61.05 H new ATOM 0 HA ARG A 59 2.732 12.449 0.804 1.00 35.23 H new ATOM 0 HB2 ARG A 59 1.003 12.352 2.750 1.00 54.13 H new ATOM 0 HB3 ARG A 59 1.903 10.933 3.249 1.00 54.13 H new ATOM 0 HG2 ARG A 59 3.915 12.165 3.564 1.00 13.22 H new ATOM 0 HG3 ARG A 59 3.352 13.515 2.599 1.00 13.22 H new ATOM 0 HD2 ARG A 59 1.542 13.915 4.367 1.00 33.00 H new ATOM 0 HD3 ARG A 59 2.314 12.689 5.353 1.00 33.00 H new ATOM 0 HE ARG A 59 3.897 14.237 5.996 1.00 51.22 H new ATOM 0 HH11 ARG A 59 2.422 15.421 2.981 1.00 0.10 H new ATOM 0 HH12 ARG A 59 3.349 16.925 3.010 1.00 0.10 H new ATOM 0 HH21 ARG A 59 5.116 16.148 5.931 1.00 34.24 H new ATOM 0 HH22 ARG A 59 4.841 17.326 4.643 1.00 34.24 H new ATOM 855 N TRP A 60 2.885 9.169 1.117 1.00 72.33 N ATOM 856 CA TRP A 60 3.744 8.034 0.845 1.00 33.13 C ATOM 857 C TRP A 60 4.257 8.054 -0.592 1.00 61.02 C ATOM 858 O TRP A 60 5.463 7.952 -0.802 1.00 20.40 O ATOM 859 CB TRP A 60 3.035 6.722 1.177 1.00 61.02 C ATOM 860 CG TRP A 60 3.940 5.564 1.452 1.00 20.42 C ATOM 861 CD1 TRP A 60 5.131 5.627 2.096 1.00 74.33 C ATOM 862 CD2 TRP A 60 3.678 4.148 1.220 1.00 13.11 C ATOM 863 NE1 TRP A 60 5.583 4.346 2.335 1.00 42.22 N ATOM 864 CE2 TRP A 60 4.677 3.396 1.896 1.00 0.10 C ATOM 865 CE3 TRP A 60 2.630 3.428 0.608 1.00 63.01 C ATOM 866 CZ2 TRP A 60 4.553 2.009 2.066 1.00 40.32 C ATOM 867 CZ3 TRP A 60 2.534 2.026 0.724 1.00 60.24 C ATOM 868 CH2 TRP A 60 3.479 1.321 1.483 1.00 64.44 C ATOM 0 H TRP A 60 1.943 8.916 1.414 1.00 72.33 H new ATOM 0 HA TRP A 60 4.616 8.110 1.495 1.00 33.13 H new ATOM 0 HB2 TRP A 60 2.399 6.881 2.048 1.00 61.02 H new ATOM 0 HB3 TRP A 60 2.379 6.461 0.347 1.00 61.02 H new ATOM 0 HD1 TRP A 60 5.644 6.535 2.377 1.00 74.33 H new ATOM 0 HE1 TRP A 60 6.474 4.126 2.780 1.00 42.22 H new ATOM 0 HE3 TRP A 60 1.885 3.963 0.038 1.00 63.01 H new ATOM 0 HZ2 TRP A 60 5.286 1.470 2.647 1.00 40.32 H new ATOM 0 HZ3 TRP A 60 1.734 1.496 0.229 1.00 60.24 H new ATOM 0 HH2 TRP A 60 3.380 0.254 1.618 1.00 64.44 H new ATOM 878 N MET A 61 3.354 8.171 -1.571 1.00 13.42 N ATOM 879 CA MET A 61 3.637 8.155 -2.996 1.00 23.04 C ATOM 880 C MET A 61 4.659 9.230 -3.363 1.00 73.14 C ATOM 881 O MET A 61 5.760 8.908 -3.816 1.00 54.12 O ATOM 882 CB MET A 61 2.317 8.377 -3.756 1.00 31.13 C ATOM 883 CG MET A 61 1.316 7.224 -3.579 1.00 74.43 C ATOM 884 SD MET A 61 1.491 5.763 -4.628 1.00 72.33 S ATOM 885 CE MET A 61 1.345 6.533 -6.252 1.00 0.22 C ATOM 0 H MET A 61 2.360 8.285 -1.374 1.00 13.42 H new ATOM 0 HA MET A 61 4.067 7.192 -3.273 1.00 23.04 H new ATOM 0 HB2 MET A 61 1.858 9.304 -3.412 1.00 31.13 H new ATOM 0 HB3 MET A 61 2.533 8.503 -4.817 1.00 31.13 H new ATOM 0 HG2 MET A 61 1.369 6.895 -2.541 1.00 74.43 H new ATOM 0 HG3 MET A 61 0.315 7.627 -3.735 1.00 74.43 H new ATOM 0 HE1 MET A 61 1.041 5.784 -6.984 1.00 0.22 H new ATOM 0 HE2 MET A 61 0.598 7.326 -6.213 1.00 0.22 H new ATOM 0 HE3 MET A 61 2.307 6.955 -6.543 1.00 0.22 H new ATOM 893 N GLU A 62 4.278 10.498 -3.209 1.00 43.33 N ATOM 894 CA GLU A 62 4.991 11.649 -3.750 1.00 53.24 C ATOM 895 C GLU A 62 6.393 11.727 -3.126 1.00 2.51 C ATOM 896 O GLU A 62 7.379 11.981 -3.826 1.00 74.25 O ATOM 897 CB GLU A 62 4.181 12.934 -3.465 1.00 44.24 C ATOM 898 CG GLU A 62 2.722 12.977 -3.980 1.00 3.31 C ATOM 899 CD GLU A 62 2.492 13.397 -5.440 1.00 23.43 C ATOM 900 OE1 GLU A 62 3.236 14.251 -5.969 1.00 34.11 O ATOM 901 OE2 GLU A 62 1.464 12.973 -6.023 1.00 20.41 O ATOM 0 H GLU A 62 3.440 10.757 -2.689 1.00 43.33 H new ATOM 0 HA GLU A 62 5.104 11.545 -4.829 1.00 53.24 H new ATOM 0 HB2 GLU A 62 4.164 13.091 -2.386 1.00 44.24 H new ATOM 0 HB3 GLU A 62 4.718 13.776 -3.901 1.00 44.24 H new ATOM 0 HG2 GLU A 62 2.289 11.986 -3.844 1.00 3.31 H new ATOM 0 HG3 GLU A 62 2.161 13.660 -3.342 1.00 3.31 H new ATOM 906 N ALA A 63 6.486 11.454 -1.817 1.00 60.25 N ATOM 907 CA ALA A 63 7.731 11.503 -1.051 1.00 41.53 C ATOM 908 C ALA A 63 8.640 10.320 -1.351 1.00 41.54 C ATOM 909 O ALA A 63 9.856 10.430 -1.174 1.00 32.41 O ATOM 910 CB ALA A 63 7.434 11.525 0.453 1.00 20.34 C ATOM 0 H ALA A 63 5.679 11.188 -1.253 1.00 60.25 H new ATOM 0 HA ALA A 63 8.245 12.417 -1.349 1.00 41.53 H new ATOM 0 HB1 ALA A 63 8.371 11.561 1.008 1.00 20.34 H new ATOM 0 HB2 ALA A 63 6.836 12.404 0.693 1.00 20.34 H new ATOM 0 HB3 ALA A 63 6.884 10.625 0.728 1.00 20.34 H new ATOM 916 N ASN A 64 8.088 9.188 -1.790 1.00 1.24 N ATOM 917 CA ASN A 64 8.907 8.070 -2.238 1.00 74.23 C ATOM 918 C ASN A 64 9.219 8.165 -3.720 1.00 22.11 C ATOM 919 O ASN A 64 9.907 7.289 -4.240 1.00 21.00 O ATOM 920 CB ASN A 64 8.297 6.719 -1.854 1.00 52.53 C ATOM 921 CG ASN A 64 8.651 6.452 -0.406 1.00 75.45 C ATOM 922 OD1 ASN A 64 9.762 6.035 -0.103 1.00 0.31 O ATOM 923 ND2 ASN A 64 7.759 6.751 0.516 1.00 11.44 N ATOM 0 H ASN A 64 7.083 9.025 -1.843 1.00 1.24 H new ATOM 0 HA ASN A 64 9.859 8.136 -1.711 1.00 74.23 H new ATOM 0 HB2 ASN A 64 7.215 6.736 -1.987 1.00 52.53 H new ATOM 0 HB3 ASN A 64 8.685 5.928 -2.495 1.00 52.53 H new ATOM 0 HD21 ASN A 64 7.988 6.637 1.503 1.00 11.44 H new ATOM 0 HD22 ASN A 64 6.839 7.097 0.243 1.00 11.44 H new ATOM 929 N GLN A 65 8.739 9.199 -4.423 1.00 24.11 N ATOM 930 CA GLN A 65 8.929 9.333 -5.863 1.00 61.42 C ATOM 931 C GLN A 65 8.351 8.090 -6.560 1.00 62.44 C ATOM 932 O GLN A 65 8.824 7.678 -7.619 1.00 23.12 O ATOM 933 CB GLN A 65 10.417 9.612 -6.199 1.00 32.03 C ATOM 934 CG GLN A 65 11.058 10.779 -5.425 1.00 15.13 C ATOM 935 CD GLN A 65 12.578 10.792 -5.601 1.00 3.11 C ATOM 936 OE1 GLN A 65 13.089 11.002 -6.698 1.00 24.21 O ATOM 937 NE2 GLN A 65 13.332 10.549 -4.540 1.00 2.34 N ATOM 0 H GLN A 65 8.209 9.963 -4.004 1.00 24.11 H new ATOM 0 HA GLN A 65 8.385 10.197 -6.244 1.00 61.42 H new ATOM 0 HB2 GLN A 65 10.993 8.707 -6.003 1.00 32.03 H new ATOM 0 HB3 GLN A 65 10.499 9.817 -7.266 1.00 32.03 H new ATOM 0 HG2 GLN A 65 10.641 11.723 -5.775 1.00 15.13 H new ATOM 0 HG3 GLN A 65 10.813 10.695 -4.366 1.00 15.13 H new ATOM 0 HE21 GLN A 65 12.897 10.376 -3.634 1.00 2.34 H new ATOM 0 HE22 GLN A 65 14.348 10.535 -4.629 1.00 2.34 H new ATOM 944 N HIS A 66 7.324 7.496 -5.939 1.00 35.40 N ATOM 945 CA HIS A 66 6.619 6.301 -6.380 1.00 12.42 C ATOM 946 C HIS A 66 7.478 5.020 -6.392 1.00 34.13 C ATOM 947 O HIS A 66 7.073 4.039 -7.024 1.00 53.45 O ATOM 948 CB HIS A 66 5.925 6.549 -7.731 1.00 24.01 C ATOM 949 CG HIS A 66 5.254 7.892 -7.912 1.00 24.34 C ATOM 950 ND1 HIS A 66 5.208 8.586 -9.098 1.00 41.12 N ATOM 951 CD2 HIS A 66 4.645 8.663 -6.957 1.00 24.34 C ATOM 952 CE1 HIS A 66 4.554 9.737 -8.875 1.00 75.43 C ATOM 953 NE2 HIS A 66 4.171 9.815 -7.588 1.00 62.01 N ATOM 0 H HIS A 66 6.946 7.863 -5.066 1.00 35.40 H new ATOM 0 HA HIS A 66 5.856 6.105 -5.627 1.00 12.42 H new ATOM 0 HB2 HIS A 66 6.666 6.429 -8.521 1.00 24.01 H new ATOM 0 HB3 HIS A 66 5.175 5.771 -7.876 1.00 24.01 H new ATOM 0 HD2 HIS A 66 4.549 8.424 -5.908 1.00 24.34 H new ATOM 0 HE1 HIS A 66 4.363 10.493 -9.622 1.00 75.43 H new ATOM 0 HE2 HIS A 66 3.638 10.570 -7.156 1.00 62.01 H new ATOM 960 N SER A 67 8.623 4.962 -5.703 1.00 24.11 N ATOM 961 CA SER A 67 9.430 3.749 -5.607 1.00 23.23 C ATOM 962 C SER A 67 9.948 3.566 -4.174 1.00 53.41 C ATOM 963 O SER A 67 10.525 4.483 -3.584 1.00 63.03 O ATOM 964 CB SER A 67 10.550 3.734 -6.664 1.00 24.23 C ATOM 965 OG SER A 67 10.975 5.026 -7.083 1.00 62.44 O ATOM 0 H SER A 67 9.013 5.757 -5.197 1.00 24.11 H new ATOM 0 HA SER A 67 8.801 2.887 -5.830 1.00 23.23 H new ATOM 0 HB2 SER A 67 11.407 3.195 -6.261 1.00 24.23 H new ATOM 0 HB3 SER A 67 10.204 3.177 -7.535 1.00 24.23 H new ATOM 0 HG SER A 67 11.686 4.936 -7.751 1.00 62.44 H new ATOM 970 N LEU A 68 9.709 2.383 -3.610 1.00 15.31 N ATOM 971 CA LEU A 68 10.235 1.939 -2.318 1.00 55.41 C ATOM 972 C LEU A 68 11.354 0.932 -2.555 1.00 31.33 C ATOM 973 O LEU A 68 11.562 0.460 -3.679 1.00 60.21 O ATOM 974 CB LEU A 68 9.150 1.262 -1.460 1.00 60.41 C ATOM 975 CG LEU A 68 7.996 2.154 -0.990 1.00 3.42 C ATOM 976 CD1 LEU A 68 6.885 1.295 -0.394 1.00 3.11 C ATOM 977 CD2 LEU A 68 8.444 3.144 0.079 1.00 72.33 C ATOM 0 H LEU A 68 9.121 1.680 -4.057 1.00 15.31 H new ATOM 0 HA LEU A 68 10.599 2.819 -1.787 1.00 55.41 H new ATOM 0 HB2 LEU A 68 8.731 0.434 -2.031 1.00 60.41 H new ATOM 0 HB3 LEU A 68 9.629 0.832 -0.580 1.00 60.41 H new ATOM 0 HG LEU A 68 7.642 2.704 -1.862 1.00 3.42 H new ATOM 0 HD11 LEU A 68 6.068 1.936 -0.062 1.00 3.11 H new ATOM 0 HD12 LEU A 68 6.517 0.600 -1.149 1.00 3.11 H new ATOM 0 HD13 LEU A 68 7.275 0.734 0.456 1.00 3.11 H new ATOM 0 HD21 LEU A 68 7.596 3.757 0.385 1.00 72.33 H new ATOM 0 HD22 LEU A 68 8.828 2.599 0.942 1.00 72.33 H new ATOM 0 HD23 LEU A 68 9.229 3.784 -0.324 1.00 72.33 H new ATOM 988 N ASN A 69 12.040 0.556 -1.475 1.00 40.51 N ATOM 989 CA ASN A 69 13.174 -0.347 -1.512 1.00 54.12 C ATOM 990 C ASN A 69 13.114 -1.220 -0.266 1.00 24.11 C ATOM 991 O ASN A 69 13.482 -0.772 0.818 1.00 40.51 O ATOM 992 CB ASN A 69 14.462 0.487 -1.637 1.00 43.24 C ATOM 993 CG ASN A 69 15.688 -0.287 -2.111 1.00 75.05 C ATOM 994 OD1 ASN A 69 16.820 0.005 -1.738 1.00 52.51 O ATOM 995 ND2 ASN A 69 15.525 -1.241 -3.013 1.00 2.40 N ATOM 0 H ASN A 69 11.813 0.881 -0.535 1.00 40.51 H new ATOM 0 HA ASN A 69 13.157 -1.015 -2.373 1.00 54.12 H new ATOM 0 HB2 ASN A 69 14.279 1.308 -2.330 1.00 43.24 H new ATOM 0 HB3 ASN A 69 14.684 0.932 -0.667 1.00 43.24 H new ATOM 0 HD21 ASN A 69 16.337 -1.728 -3.393 1.00 2.40 H new ATOM 0 HD22 ASN A 69 14.587 -1.490 -3.328 1.00 2.40 H new ATOM 1001 N ILE A 70 12.588 -2.437 -0.406 1.00 44.42 N ATOM 1002 CA ILE A 70 12.376 -3.408 0.660 1.00 15.51 C ATOM 1003 C ILE A 70 13.275 -4.597 0.359 1.00 71.43 C ATOM 1004 O ILE A 70 13.252 -5.108 -0.766 1.00 21.03 O ATOM 1005 CB ILE A 70 10.876 -3.776 0.715 1.00 3.24 C ATOM 1006 CG1 ILE A 70 10.068 -2.568 1.246 1.00 52.23 C ATOM 1007 CG2 ILE A 70 10.581 -5.056 1.523 1.00 22.11 C ATOM 1008 CD1 ILE A 70 9.203 -1.913 0.168 1.00 71.45 C ATOM 0 H ILE A 70 12.284 -2.787 -1.314 1.00 44.42 H new ATOM 0 HA ILE A 70 12.634 -3.018 1.645 1.00 15.51 H new ATOM 0 HB ILE A 70 10.561 -4.007 -0.303 1.00 3.24 H new ATOM 0 HG12 ILE A 70 9.431 -2.896 2.067 1.00 52.23 H new ATOM 0 HG13 ILE A 70 10.756 -1.827 1.653 1.00 52.23 H new ATOM 0 HG21 ILE A 70 9.509 -5.251 1.517 1.00 22.11 H new ATOM 0 HG22 ILE A 70 11.105 -5.899 1.073 1.00 22.11 H new ATOM 0 HG23 ILE A 70 10.920 -4.924 2.550 1.00 22.11 H new ATOM 0 HD11 ILE A 70 8.660 -1.072 0.599 1.00 71.45 H new ATOM 0 HD12 ILE A 70 9.839 -1.557 -0.642 1.00 71.45 H new ATOM 0 HD13 ILE A 70 8.493 -2.642 -0.222 1.00 71.45 H new ATOM 1019 N LEU A 71 14.080 -5.022 1.339 1.00 55.51 N ATOM 1020 CA LEU A 71 15.117 -6.047 1.192 1.00 32.31 C ATOM 1021 C LEU A 71 16.061 -5.710 0.022 1.00 73.03 C ATOM 1022 O LEU A 71 16.615 -6.600 -0.630 1.00 12.34 O ATOM 1023 CB LEU A 71 14.489 -7.458 1.097 1.00 41.14 C ATOM 1024 CG LEU A 71 14.116 -8.108 2.440 1.00 44.44 C ATOM 1025 CD1 LEU A 71 12.904 -7.449 3.090 1.00 35.44 C ATOM 1026 CD2 LEU A 71 13.770 -9.583 2.214 1.00 41.24 C ATOM 0 H LEU A 71 14.025 -4.649 2.287 1.00 55.51 H new ATOM 0 HA LEU A 71 15.739 -6.055 2.087 1.00 32.31 H new ATOM 0 HB2 LEU A 71 13.592 -7.397 0.481 1.00 41.14 H new ATOM 0 HB3 LEU A 71 15.188 -8.114 0.578 1.00 41.14 H new ATOM 0 HG LEU A 71 14.977 -7.988 3.098 1.00 44.44 H new ATOM 0 HD11 LEU A 71 12.683 -7.945 4.035 1.00 35.44 H new ATOM 0 HD12 LEU A 71 13.118 -6.396 3.275 1.00 35.44 H new ATOM 0 HD13 LEU A 71 12.044 -7.534 2.426 1.00 35.44 H new ATOM 0 HD21 LEU A 71 13.506 -10.045 3.165 1.00 41.24 H new ATOM 0 HD22 LEU A 71 12.927 -9.658 1.527 1.00 41.24 H new ATOM 0 HD23 LEU A 71 14.631 -10.098 1.788 1.00 41.24 H new ATOM 1037 N GLY A 72 16.218 -4.421 -0.285 1.00 52.12 N ATOM 1038 CA GLY A 72 17.030 -3.937 -1.385 1.00 31.12 C ATOM 1039 C GLY A 72 16.405 -4.161 -2.768 1.00 2.53 C ATOM 1040 O GLY A 72 16.909 -3.590 -3.737 1.00 71.42 O ATOM 0 H GLY A 72 15.769 -3.672 0.242 1.00 52.12 H new ATOM 0 HA2 GLY A 72 17.211 -2.871 -1.248 1.00 31.12 H new ATOM 0 HA3 GLY A 72 18.001 -4.432 -1.352 1.00 31.12 H new ATOM 1044 N GLN A 73 15.280 -4.877 -2.884 1.00 62.32 N ATOM 1045 CA GLN A 73 14.541 -5.010 -4.132 1.00 11.23 C ATOM 1046 C GLN A 73 13.828 -3.678 -4.397 1.00 35.40 C ATOM 1047 O GLN A 73 13.380 -3.001 -3.468 1.00 62.25 O ATOM 1048 CB GLN A 73 13.537 -6.176 -4.045 1.00 21.20 C ATOM 1049 CG GLN A 73 14.093 -7.546 -4.492 1.00 21.12 C ATOM 1050 CD GLN A 73 14.962 -8.306 -3.482 1.00 0.30 C ATOM 1051 OE1 GLN A 73 15.963 -8.924 -3.835 1.00 52.13 O ATOM 1052 NE2 GLN A 73 14.550 -8.416 -2.231 1.00 62.24 N ATOM 0 H GLN A 73 14.859 -5.382 -2.104 1.00 62.32 H new ATOM 0 HA GLN A 73 15.218 -5.236 -4.956 1.00 11.23 H new ATOM 0 HB2 GLN A 73 13.188 -6.260 -3.016 1.00 21.20 H new ATOM 0 HB3 GLN A 73 12.668 -5.935 -4.658 1.00 21.20 H new ATOM 0 HG2 GLN A 73 13.250 -8.183 -4.761 1.00 21.12 H new ATOM 0 HG3 GLN A 73 14.680 -7.395 -5.398 1.00 21.12 H new ATOM 0 HE21 GLN A 73 13.721 -7.910 -1.921 1.00 62.24 H new ATOM 0 HE22 GLN A 73 15.061 -9.007 -1.576 1.00 62.24 H new ATOM 1059 N LYS A 74 13.736 -3.263 -5.659 1.00 52.41 N ATOM 1060 CA LYS A 74 13.027 -2.065 -6.101 1.00 63.41 C ATOM 1061 C LYS A 74 11.543 -2.406 -6.220 1.00 44.42 C ATOM 1062 O LYS A 74 11.201 -3.405 -6.854 1.00 32.04 O ATOM 1063 CB LYS A 74 13.636 -1.639 -7.445 1.00 22.44 C ATOM 1064 CG LYS A 74 13.084 -0.310 -7.974 1.00 41.23 C ATOM 1065 CD LYS A 74 13.811 0.115 -9.260 1.00 55.55 C ATOM 1066 CE LYS A 74 15.214 0.666 -8.975 1.00 52.23 C ATOM 1067 NZ LYS A 74 15.987 0.905 -10.211 1.00 3.20 N ATOM 0 H LYS A 74 14.169 -3.771 -6.430 1.00 52.41 H new ATOM 0 HA LYS A 74 13.124 -1.237 -5.398 1.00 63.41 H new ATOM 0 HB2 LYS A 74 14.717 -1.556 -7.335 1.00 22.44 H new ATOM 0 HB3 LYS A 74 13.450 -2.420 -8.183 1.00 22.44 H new ATOM 0 HG2 LYS A 74 12.016 -0.408 -8.171 1.00 41.23 H new ATOM 0 HG3 LYS A 74 13.198 0.464 -7.215 1.00 41.23 H new ATOM 0 HD2 LYS A 74 13.887 -0.740 -9.932 1.00 55.55 H new ATOM 0 HD3 LYS A 74 13.222 0.874 -9.775 1.00 55.55 H new ATOM 0 HE2 LYS A 74 15.129 1.598 -8.417 1.00 52.23 H new ATOM 0 HE3 LYS A 74 15.755 -0.036 -8.341 1.00 52.23 H new ATOM 0 HZ1 LYS A 74 16.927 1.277 -9.966 1.00 3.20 H new ATOM 0 HZ2 LYS A 74 16.093 0.011 -10.732 1.00 3.20 H new ATOM 0 HZ3 LYS A 74 15.486 1.595 -10.806 1.00 3.20 H new ATOM 1077 N VAL A 75 10.674 -1.590 -5.629 1.00 64.04 N ATOM 1078 CA VAL A 75 9.245 -1.858 -5.491 1.00 72.12 C ATOM 1079 C VAL A 75 8.498 -0.629 -6.023 1.00 64.31 C ATOM 1080 O VAL A 75 8.890 0.504 -5.722 1.00 34.01 O ATOM 1081 CB VAL A 75 8.945 -2.145 -4.000 1.00 31.33 C ATOM 1082 CG1 VAL A 75 7.499 -2.585 -3.743 1.00 44.45 C ATOM 1083 CG2 VAL A 75 9.862 -3.229 -3.407 1.00 32.14 C ATOM 0 H VAL A 75 10.953 -0.698 -5.221 1.00 64.04 H new ATOM 0 HA VAL A 75 8.921 -2.729 -6.060 1.00 72.12 H new ATOM 0 HB VAL A 75 9.127 -1.187 -3.512 1.00 31.33 H new ATOM 0 HG11 VAL A 75 7.359 -2.769 -2.678 1.00 44.45 H new ATOM 0 HG12 VAL A 75 6.816 -1.800 -4.068 1.00 44.45 H new ATOM 0 HG13 VAL A 75 7.292 -3.499 -4.300 1.00 44.45 H new ATOM 0 HG21 VAL A 75 9.606 -3.389 -2.359 1.00 32.14 H new ATOM 0 HG22 VAL A 75 9.729 -4.160 -3.959 1.00 32.14 H new ATOM 0 HG23 VAL A 75 10.901 -2.908 -3.482 1.00 32.14 H new ATOM 1093 N SER A 76 7.419 -0.820 -6.784 1.00 15.43 N ATOM 1094 CA SER A 76 6.592 0.265 -7.318 1.00 40.54 C ATOM 1095 C SER A 76 5.245 0.306 -6.590 1.00 53.55 C ATOM 1096 O SER A 76 4.788 -0.713 -6.074 1.00 1.24 O ATOM 1097 CB SER A 76 6.397 0.078 -8.826 1.00 44.15 C ATOM 1098 OG SER A 76 7.606 0.289 -9.538 1.00 23.43 O ATOM 0 H SER A 76 7.089 -1.748 -7.051 1.00 15.43 H new ATOM 0 HA SER A 76 7.096 1.217 -7.153 1.00 40.54 H new ATOM 0 HB2 SER A 76 6.028 -0.928 -9.024 1.00 44.15 H new ATOM 0 HB3 SER A 76 5.637 0.772 -9.184 1.00 44.15 H new ATOM 0 HG SER A 76 7.448 0.160 -10.497 1.00 23.43 H new ATOM 1103 N MET A 77 4.610 1.480 -6.557 1.00 15.11 N ATOM 1104 CA MET A 77 3.379 1.745 -5.810 1.00 0.32 C ATOM 1105 C MET A 77 2.306 2.355 -6.705 1.00 72.31 C ATOM 1106 O MET A 77 2.603 3.199 -7.553 1.00 40.22 O ATOM 1107 CB MET A 77 3.632 2.655 -4.596 1.00 41.24 C ATOM 1108 CG MET A 77 4.537 3.871 -4.824 1.00 75.41 C ATOM 1109 SD MET A 77 5.802 4.191 -3.557 1.00 20.02 S ATOM 1110 CE MET A 77 4.788 4.391 -2.066 1.00 74.05 C ATOM 0 H MET A 77 4.949 2.297 -7.065 1.00 15.11 H new ATOM 0 HA MET A 77 3.021 0.783 -5.444 1.00 0.32 H new ATOM 0 HB2 MET A 77 2.669 3.011 -4.231 1.00 41.24 H new ATOM 0 HB3 MET A 77 4.069 2.049 -3.802 1.00 41.24 H new ATOM 0 HG2 MET A 77 5.039 3.747 -5.784 1.00 75.41 H new ATOM 0 HG3 MET A 77 3.905 4.756 -4.906 1.00 75.41 H new ATOM 0 HE1 MET A 77 5.404 4.782 -1.256 1.00 74.05 H new ATOM 0 HE2 MET A 77 3.974 5.086 -2.270 1.00 74.05 H new ATOM 0 HE3 MET A 77 4.376 3.425 -1.774 1.00 74.05 H new ATOM 1118 N HIS A 78 1.056 1.940 -6.481 1.00 13.53 N ATOM 1119 CA HIS A 78 -0.089 2.255 -7.331 1.00 15.53 C ATOM 1120 C HIS A 78 -1.358 2.431 -6.490 1.00 22.20 C ATOM 1121 O HIS A 78 -1.577 1.676 -5.536 1.00 13.50 O ATOM 1122 CB HIS A 78 -0.320 1.101 -8.321 1.00 20.02 C ATOM 1123 CG HIS A 78 0.930 0.559 -8.972 1.00 3.51 C ATOM 1124 ND1 HIS A 78 1.663 1.151 -9.977 1.00 53.41 N ATOM 1125 CD2 HIS A 78 1.603 -0.564 -8.574 1.00 43.33 C ATOM 1126 CE1 HIS A 78 2.757 0.397 -10.178 1.00 11.12 C ATOM 1127 NE2 HIS A 78 2.741 -0.685 -9.379 1.00 14.13 N ATOM 0 H HIS A 78 0.809 1.359 -5.680 1.00 13.53 H new ATOM 0 HA HIS A 78 0.123 3.183 -7.862 1.00 15.53 H new ATOM 0 HB2 HIS A 78 -0.821 0.287 -7.797 1.00 20.02 H new ATOM 0 HB3 HIS A 78 -0.999 1.443 -9.102 1.00 20.02 H new ATOM 0 HD1 HIS A 78 1.420 2.006 -10.477 1.00 53.41 H new ATOM 0 HD2 HIS A 78 1.309 -1.236 -7.781 1.00 43.33 H new ATOM 0 HE1 HIS A 78 3.541 0.628 -10.884 1.00 11.12 H new ATOM 1134 N TYR A 79 -2.228 3.368 -6.871 1.00 44.53 N ATOM 1135 CA TYR A 79 -3.540 3.582 -6.276 1.00 3.54 C ATOM 1136 C TYR A 79 -4.525 2.500 -6.717 1.00 61.43 C ATOM 1137 O TYR A 79 -5.340 2.697 -7.622 1.00 2.22 O ATOM 1138 CB TYR A 79 -4.064 4.985 -6.621 1.00 4.42 C ATOM 1139 CG TYR A 79 -3.311 6.149 -6.001 1.00 3.33 C ATOM 1140 CD1 TYR A 79 -2.905 6.106 -4.651 1.00 31.23 C ATOM 1141 CD2 TYR A 79 -3.063 7.309 -6.764 1.00 53.44 C ATOM 1142 CE1 TYR A 79 -2.299 7.223 -4.062 1.00 20.01 C ATOM 1143 CE2 TYR A 79 -2.428 8.421 -6.185 1.00 74.15 C ATOM 1144 CZ TYR A 79 -2.063 8.383 -4.822 1.00 40.32 C ATOM 1145 OH TYR A 79 -1.517 9.459 -4.213 1.00 42.54 O ATOM 0 H TYR A 79 -2.027 4.020 -7.630 1.00 44.53 H new ATOM 0 HA TYR A 79 -3.440 3.514 -5.193 1.00 3.54 H new ATOM 0 HB2 TYR A 79 -4.045 5.102 -7.705 1.00 4.42 H new ATOM 0 HB3 TYR A 79 -5.107 5.047 -6.312 1.00 4.42 H new ATOM 0 HD1 TYR A 79 -3.062 5.209 -4.070 1.00 31.23 H new ATOM 0 HD2 TYR A 79 -3.363 7.343 -7.801 1.00 53.44 H new ATOM 0 HE1 TYR A 79 -2.012 7.194 -3.021 1.00 20.01 H new ATOM 0 HE2 TYR A 79 -2.221 9.299 -6.779 1.00 74.15 H new ATOM 0 HH TYR A 79 -1.412 10.185 -4.863 1.00 42.54 H new ATOM 1154 N SER A 80 -4.484 1.358 -6.041 1.00 24.44 N ATOM 1155 CA SER A 80 -5.437 0.266 -6.194 1.00 54.45 C ATOM 1156 C SER A 80 -6.648 0.565 -5.303 1.00 33.14 C ATOM 1157 O SER A 80 -6.927 -0.156 -4.344 1.00 4.22 O ATOM 1158 CB SER A 80 -4.721 -1.050 -5.864 1.00 14.41 C ATOM 1159 OG SER A 80 -4.966 -2.018 -6.870 1.00 24.01 O ATOM 0 H SER A 80 -3.762 1.160 -5.348 1.00 24.44 H new ATOM 0 HA SER A 80 -5.811 0.168 -7.213 1.00 54.45 H new ATOM 0 HB2 SER A 80 -3.649 -0.874 -5.774 1.00 14.41 H new ATOM 0 HB3 SER A 80 -5.064 -1.425 -4.900 1.00 14.41 H new ATOM 0 HG SER A 80 -4.306 -2.739 -6.798 1.00 24.01 H new ATOM 1164 N ASP A 81 -7.304 1.696 -5.572 1.00 75.30 N ATOM 1165 CA ASP A 81 -8.381 2.236 -4.747 1.00 51.24 C ATOM 1166 C ASP A 81 -9.547 1.240 -4.616 1.00 22.22 C ATOM 1167 O ASP A 81 -9.722 0.378 -5.481 1.00 73.44 O ATOM 1168 CB ASP A 81 -8.811 3.614 -5.276 1.00 52.14 C ATOM 1169 CG ASP A 81 -9.766 3.574 -6.463 1.00 32.22 C ATOM 1170 OD1 ASP A 81 -10.940 3.205 -6.267 1.00 35.03 O ATOM 1171 OD2 ASP A 81 -9.334 3.959 -7.578 1.00 21.44 O ATOM 0 H ASP A 81 -7.095 2.272 -6.387 1.00 75.30 H new ATOM 0 HA ASP A 81 -8.012 2.385 -3.732 1.00 51.24 H new ATOM 0 HB2 ASP A 81 -9.285 4.167 -4.465 1.00 52.14 H new ATOM 0 HB3 ASP A 81 -7.920 4.171 -5.564 1.00 52.14 H new ATOM 1175 N PRO A 82 -10.337 1.313 -3.528 1.00 55.53 N ATOM 1176 CA PRO A 82 -11.235 0.227 -3.154 1.00 32.23 C ATOM 1177 C PRO A 82 -12.432 0.134 -4.091 1.00 34.44 C ATOM 1178 O PRO A 82 -12.905 -0.961 -4.395 1.00 64.21 O ATOM 1179 CB PRO A 82 -11.704 0.542 -1.731 1.00 12.43 C ATOM 1180 CG PRO A 82 -11.525 2.051 -1.602 1.00 54.51 C ATOM 1181 CD PRO A 82 -10.377 2.384 -2.544 1.00 23.12 C ATOM 0 HA PRO A 82 -10.721 -0.732 -3.216 1.00 32.23 H new ATOM 0 HB2 PRO A 82 -12.743 0.250 -1.581 1.00 12.43 H new ATOM 0 HB3 PRO A 82 -11.112 0.006 -0.989 1.00 12.43 H new ATOM 0 HG2 PRO A 82 -12.434 2.583 -1.882 1.00 54.51 H new ATOM 0 HG3 PRO A 82 -11.291 2.336 -0.576 1.00 54.51 H new ATOM 0 HD2 PRO A 82 -10.535 3.349 -3.025 1.00 23.12 H new ATOM 0 HD3 PRO A 82 -9.434 2.449 -2.001 1.00 23.12 H new ATOM 1186 N LYS A 83 -12.981 1.285 -4.470 1.00 15.41 N ATOM 1187 CA LYS A 83 -14.062 1.464 -5.411 1.00 32.34 C ATOM 1188 C LYS A 83 -13.982 2.905 -5.895 1.00 2.51 C ATOM 1189 O LYS A 83 -13.656 3.778 -5.078 1.00 1.54 O ATOM 1190 CB LYS A 83 -15.396 1.133 -4.731 1.00 52.20 C ATOM 1191 CG LYS A 83 -15.923 2.160 -3.711 1.00 41.50 C ATOM 1192 CD LYS A 83 -17.214 1.682 -3.024 1.00 71.40 C ATOM 1193 CE LYS A 83 -17.014 0.435 -2.140 1.00 13.31 C ATOM 1194 NZ LYS A 83 -18.297 -0.130 -1.668 1.00 63.24 N ATOM 0 H LYS A 83 -12.652 2.175 -4.096 1.00 15.41 H new ATOM 0 HA LYS A 83 -13.986 0.795 -6.268 1.00 32.34 H new ATOM 0 HB2 LYS A 83 -16.151 1.005 -5.506 1.00 52.20 H new ATOM 0 HB3 LYS A 83 -15.292 0.173 -4.225 1.00 52.20 H new ATOM 0 HG2 LYS A 83 -15.159 2.346 -2.956 1.00 41.50 H new ATOM 0 HG3 LYS A 83 -16.111 3.108 -4.215 1.00 41.50 H new ATOM 0 HD2 LYS A 83 -17.612 2.492 -2.412 1.00 71.40 H new ATOM 0 HD3 LYS A 83 -17.962 1.461 -3.786 1.00 71.40 H new ATOM 0 HE2 LYS A 83 -16.471 -0.324 -2.703 1.00 13.31 H new ATOM 0 HE3 LYS A 83 -16.397 0.697 -1.281 1.00 13.31 H new ATOM 0 HZ1 LYS A 83 -18.112 -0.966 -1.078 1.00 63.24 H new ATOM 0 HZ2 LYS A 83 -18.805 0.584 -1.108 1.00 63.24 H new ATOM 0 HZ3 LYS A 83 -18.877 -0.405 -2.486 1.00 63.24 H new ATOM 1204 N PRO A 84 -14.331 3.177 -7.159 1.00 74.03 N ATOM 1205 CA PRO A 84 -14.389 4.521 -7.692 1.00 35.32 C ATOM 1206 C PRO A 84 -15.497 5.267 -6.947 1.00 34.41 C ATOM 1207 O PRO A 84 -16.682 4.984 -7.122 1.00 20.25 O ATOM 1208 CB PRO A 84 -14.625 4.357 -9.194 1.00 35.32 C ATOM 1209 CG PRO A 84 -15.345 3.019 -9.317 1.00 52.14 C ATOM 1210 CD PRO A 84 -14.809 2.214 -8.139 1.00 20.45 C ATOM 0 HA PRO A 84 -13.484 5.113 -7.555 1.00 35.32 H new ATOM 0 HB2 PRO A 84 -15.229 5.172 -9.593 1.00 35.32 H new ATOM 0 HB3 PRO A 84 -13.686 4.356 -9.747 1.00 35.32 H new ATOM 0 HG2 PRO A 84 -16.427 3.139 -9.261 1.00 52.14 H new ATOM 0 HG3 PRO A 84 -15.127 2.532 -10.268 1.00 52.14 H new ATOM 0 HD2 PRO A 84 -15.590 1.584 -7.713 1.00 20.45 H new ATOM 0 HD3 PRO A 84 -14.003 1.552 -8.457 1.00 20.45 H new ATOM 1215 N LYS A 85 -15.102 6.160 -6.041 1.00 61.10 N ATOM 1216 CA LYS A 85 -15.944 6.799 -5.033 1.00 14.22 C ATOM 1217 C LYS A 85 -15.975 8.313 -5.218 1.00 2.14 C ATOM 1218 O LYS A 85 -15.846 9.108 -4.278 1.00 75.03 O ATOM 1219 CB LYS A 85 -15.477 6.384 -3.647 1.00 53.30 C ATOM 1220 CG LYS A 85 -14.017 6.739 -3.326 1.00 52.12 C ATOM 1221 CD LYS A 85 -13.657 6.444 -1.871 1.00 34.04 C ATOM 1222 CE LYS A 85 -13.676 4.946 -1.557 1.00 60.40 C ATOM 1223 NZ LYS A 85 -14.980 4.478 -1.045 1.00 75.14 N ATOM 0 H LYS A 85 -14.133 6.474 -5.988 1.00 61.10 H new ATOM 0 HA LYS A 85 -16.974 6.463 -5.153 1.00 14.22 H new ATOM 0 HB2 LYS A 85 -16.122 6.855 -2.905 1.00 53.30 H new ATOM 0 HB3 LYS A 85 -15.606 5.307 -3.543 1.00 53.30 H new ATOM 0 HG2 LYS A 85 -13.355 6.175 -3.984 1.00 52.12 H new ATOM 0 HG3 LYS A 85 -13.848 7.796 -3.533 1.00 52.12 H new ATOM 0 HD2 LYS A 85 -12.666 6.845 -1.656 1.00 34.04 H new ATOM 0 HD3 LYS A 85 -14.358 6.959 -1.214 1.00 34.04 H new ATOM 0 HE2 LYS A 85 -13.425 4.388 -2.459 1.00 60.40 H new ATOM 0 HE3 LYS A 85 -12.903 4.725 -0.821 1.00 60.40 H new ATOM 0 HZ1 LYS A 85 -14.827 3.742 -0.326 1.00 75.14 H new ATOM 0 HZ2 LYS A 85 -15.493 5.276 -0.619 1.00 75.14 H new ATOM 0 HZ3 LYS A 85 -15.540 4.085 -1.829 1.00 75.14 H new ATOM 1233 N ILE A 86 -16.116 8.700 -6.472 1.00 31.34 N ATOM 1234 CA ILE A 86 -16.309 10.075 -6.885 1.00 53.14 C ATOM 1235 C ILE A 86 -17.559 10.584 -6.164 1.00 75.40 C ATOM 1236 O ILE A 86 -18.414 9.789 -5.750 1.00 42.13 O ATOM 1237 CB ILE A 86 -16.437 10.169 -8.427 1.00 74.20 C ATOM 1238 CG1 ILE A 86 -15.494 9.205 -9.193 1.00 63.22 C ATOM 1239 CG2 ILE A 86 -16.121 11.594 -8.900 1.00 54.33 C ATOM 1240 CD1 ILE A 86 -16.146 7.855 -9.522 1.00 40.33 C ATOM 0 H ILE A 86 -16.099 8.045 -7.254 1.00 31.34 H new ATOM 0 HA ILE A 86 -15.453 10.696 -6.619 1.00 53.14 H new ATOM 0 HB ILE A 86 -17.466 9.886 -8.648 1.00 74.20 H new ATOM 0 HG12 ILE A 86 -15.173 9.681 -10.119 1.00 63.22 H new ATOM 0 HG13 ILE A 86 -14.598 9.033 -8.596 1.00 63.22 H new ATOM 0 HG21 ILE A 86 -16.214 11.646 -9.985 1.00 54.33 H new ATOM 0 HG22 ILE A 86 -16.820 12.293 -8.441 1.00 54.33 H new ATOM 0 HG23 ILE A 86 -15.103 11.856 -8.610 1.00 54.33 H new ATOM 0 HD11 ILE A 86 -15.433 7.228 -10.058 1.00 40.33 H new ATOM 0 HD12 ILE A 86 -16.443 7.359 -8.598 1.00 40.33 H new ATOM 0 HD13 ILE A 86 -17.026 8.018 -10.145 1.00 40.33 H new ATOM 1251 N ASN A 87 -17.668 11.898 -5.994 1.00 72.02 N ATOM 1252 CA ASN A 87 -18.917 12.594 -5.676 1.00 40.41 C ATOM 1253 C ASN A 87 -19.876 12.424 -6.861 1.00 60.32 C ATOM 1254 O ASN A 87 -19.813 11.399 -7.544 1.00 41.34 O ATOM 1255 CB ASN A 87 -18.622 14.054 -5.300 1.00 71.31 C ATOM 1256 CG ASN A 87 -17.938 14.236 -3.946 1.00 24.04 C ATOM 1257 OD1 ASN A 87 -17.754 15.357 -3.484 1.00 53.23 O ATOM 1258 ND2 ASN A 87 -17.478 13.186 -3.286 1.00 2.13 N ATOM 0 H ASN A 87 -16.870 12.528 -6.075 1.00 72.02 H new ATOM 0 HA ASN A 87 -19.409 12.167 -4.802 1.00 40.41 H new ATOM 0 HB2 ASN A 87 -17.992 14.494 -6.073 1.00 71.31 H new ATOM 0 HB3 ASN A 87 -19.559 14.611 -5.297 1.00 71.31 H new ATOM 0 HD21 ASN A 87 -16.978 13.315 -2.406 1.00 2.13 H new ATOM 0 HD22 ASN A 87 -17.623 12.247 -3.657 1.00 2.13 H new ATOM 1264 N GLU A 88 -20.836 13.318 -7.090 1.00 31.53 N ATOM 1265 CA GLU A 88 -21.626 13.204 -8.308 1.00 1.23 C ATOM 1266 C GLU A 88 -20.702 13.254 -9.514 1.00 43.11 C ATOM 1267 O GLU A 88 -19.853 14.137 -9.630 1.00 75.40 O ATOM 1268 CB GLU A 88 -22.690 14.298 -8.410 1.00 63.30 C ATOM 1269 CG GLU A 88 -23.827 14.111 -7.386 1.00 62.50 C ATOM 1270 CD GLU A 88 -24.374 12.676 -7.295 1.00 22.35 C ATOM 1271 OE1 GLU A 88 -24.564 12.006 -8.335 1.00 41.34 O ATOM 1272 OE2 GLU A 88 -24.587 12.174 -6.163 1.00 22.34 O ATOM 0 H GLU A 88 -21.077 14.096 -6.477 1.00 31.53 H new ATOM 0 HA GLU A 88 -22.151 12.249 -8.281 1.00 1.23 H new ATOM 0 HB2 GLU A 88 -22.223 15.271 -8.256 1.00 63.30 H new ATOM 0 HB3 GLU A 88 -23.108 14.301 -9.417 1.00 63.30 H new ATOM 0 HG2 GLU A 88 -23.466 14.412 -6.402 1.00 62.50 H new ATOM 0 HG3 GLU A 88 -24.646 14.783 -7.644 1.00 62.50 H new ATOM 1277 N ASP A 89 -20.904 12.319 -10.439 1.00 41.44 N ATOM 1278 CA ASP A 89 -20.220 12.315 -11.727 1.00 4.15 C ATOM 1279 C ASP A 89 -20.654 13.519 -12.576 1.00 11.32 C ATOM 1280 O ASP A 89 -20.127 13.722 -13.670 1.00 15.35 O ATOM 1281 CB ASP A 89 -20.511 10.987 -12.439 1.00 74.21 C ATOM 1282 CG ASP A 89 -19.630 10.804 -13.672 1.00 15.52 C ATOM 1283 OD1 ASP A 89 -18.396 10.649 -13.509 1.00 62.13 O ATOM 1284 OD2 ASP A 89 -20.146 10.764 -14.810 1.00 21.32 O ATOM 0 H ASP A 89 -21.550 11.540 -10.314 1.00 41.44 H new ATOM 0 HA ASP A 89 -19.144 12.405 -11.574 1.00 4.15 H new ATOM 0 HB2 ASP A 89 -20.347 10.160 -11.748 1.00 74.21 H new ATOM 0 HB3 ASP A 89 -21.560 10.954 -12.733 1.00 74.21 H new ATOM 1288 N TRP A 90 -21.599 14.339 -12.088 1.00 15.24 N ATOM 1289 CA TRP A 90 -22.178 15.445 -12.818 1.00 43.12 C ATOM 1290 C TRP A 90 -22.148 16.743 -12.041 1.00 40.04 C ATOM 1291 O TRP A 90 -22.451 17.792 -12.618 1.00 4.12 O ATOM 1292 CB TRP A 90 -23.609 15.078 -13.226 1.00 75.20 C ATOM 1293 CG TRP A 90 -24.547 14.827 -12.078 1.00 21.42 C ATOM 1294 CD1 TRP A 90 -24.633 13.680 -11.368 1.00 43.22 C ATOM 1295 CD2 TRP A 90 -25.432 15.772 -11.398 1.00 62.14 C ATOM 1296 NE1 TRP A 90 -25.536 13.826 -10.341 1.00 15.14 N ATOM 1297 CE2 TRP A 90 -26.043 15.109 -10.291 1.00 24.12 C ATOM 1298 CE3 TRP A 90 -25.729 17.142 -11.567 1.00 74.53 C ATOM 1299 CZ2 TRP A 90 -26.908 15.769 -9.404 1.00 73.31 C ATOM 1300 CZ3 TRP A 90 -26.598 17.813 -10.685 1.00 34.13 C ATOM 1301 CH2 TRP A 90 -27.190 17.131 -9.606 1.00 31.35 C ATOM 0 H TRP A 90 -21.982 14.236 -11.148 1.00 15.24 H new ATOM 0 HA TRP A 90 -21.571 15.618 -13.707 1.00 43.12 H new ATOM 0 HB2 TRP A 90 -24.015 15.883 -13.839 1.00 75.20 H new ATOM 0 HB3 TRP A 90 -23.576 14.186 -13.852 1.00 75.20 H new ATOM 0 HD1 TRP A 90 -24.074 12.780 -11.577 1.00 43.22 H new ATOM 0 HE1 TRP A 90 -25.798 13.080 -9.697 1.00 15.14 H new ATOM 0 HE3 TRP A 90 -25.282 17.685 -12.387 1.00 74.53 H new ATOM 0 HZ2 TRP A 90 -27.352 15.236 -8.576 1.00 73.31 H new ATOM 0 HZ3 TRP A 90 -26.812 18.860 -10.838 1.00 34.13 H new ATOM 0 HH2 TRP A 90 -27.858 17.652 -8.936 1.00 31.35 H new ATOM 1311 N LEU A 91 -21.716 16.692 -10.782 1.00 33.41 N ATOM 1312 CA LEU A 91 -21.409 17.874 -9.998 1.00 74.43 C ATOM 1313 C LEU A 91 -20.323 17.642 -8.968 1.00 35.31 C ATOM 1314 O LEU A 91 -20.487 16.860 -8.010 1.00 51.20 O ATOM 1315 CB LEU A 91 -22.625 18.780 -9.693 1.00 22.43 C ATOM 1316 CG LEU A 91 -23.295 18.835 -8.328 1.00 63.34 C ATOM 1317 CD1 LEU A 91 -23.667 17.422 -7.941 1.00 2.44 C ATOM 1318 CD2 LEU A 91 -22.435 19.546 -7.288 1.00 74.30 C ATOM 0 H LEU A 91 -21.570 15.817 -10.278 1.00 33.41 H new ATOM 0 HA LEU A 91 -20.883 18.590 -10.630 1.00 74.43 H new ATOM 0 HB2 LEU A 91 -22.318 19.799 -9.929 1.00 22.43 H new ATOM 0 HB3 LEU A 91 -23.401 18.507 -10.408 1.00 22.43 H new ATOM 0 HG LEU A 91 -24.201 19.439 -8.377 1.00 63.34 H new ATOM 0 HD11 LEU A 91 -24.151 17.428 -6.964 1.00 2.44 H new ATOM 0 HD12 LEU A 91 -24.351 17.010 -8.682 1.00 2.44 H new ATOM 0 HD13 LEU A 91 -22.767 16.808 -7.897 1.00 2.44 H new ATOM 0 HD21 LEU A 91 -22.957 19.559 -6.331 1.00 74.30 H new ATOM 0 HD22 LEU A 91 -21.488 19.019 -7.177 1.00 74.30 H new ATOM 0 HD23 LEU A 91 -22.245 20.569 -7.611 1.00 74.30 H new TER 1329 LEU A 91